Chem
J-GLOBAL ID:200907068182793446
Nikkaji number:J2.563.745C
(3S)-2,2-Dimethyl-3α,4α-[methylene(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidine-7,6-diyl)]-7,8-[1,3]butadieno-3,4-dihydro-2H,10H-1,9-dioxaanthracene-10-one
(3S)-2,2-ジメチル-3α,4α-[メチレン(1,3-ジメチル-2,4-ジオキソ-1,2,3,4-テトラヒドロ-7H-ピロロ[2,3-d]ピリミジン-7,6-ジイル)]-7,8-[1,3]ブタジエノ-3,4-ジヒドロ-2H,10H-1,9-ジオキサアントラセン-10-オン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C27 H23 N3 O5
Molecular formula furigana:
C27-H23-N3-O5
Molecular weight:
469.497
InChI:
InChI=1S/C27H23N3O5/c1-27(2)17-12-30-18(11-16-23(30)28(3)26(33)29(4)24(16)32)19(17)20-21(31)15-10-9-13-7-5-6-8-14(13)22(15)34-25(20)35-27/h5-11,17,19H,12H2,1-4H3/t17-,19-/m1/s1
InChI key:
VRINOUAOHCCDHN-IEBWSBKVSA-N
SMILES:
Cn1c2n3C[C@@H]4[C@H](c3cc2c(=O)n(C)c1=O)c1c(OC4(C)C)oc2c3ccccc3ccc2c1=O
Systematic name (3):
(3S)-2,2-ジメチル-3α,4α-[メチレン(1,3-ジメチル-2,4-ジオキソ-1,2,3,4-テトラヒドロ-7H-ピロロ[2,3-d]ピリミジン-7,6-ジイル)]-7,8-[1,3]ブタジエノ-3,4-ジヒドロ-2H,10H-1,9-ジオキサアントラセン-10-オン
(2S,13S)-7,9,14,14-テトラメチル-15,17-ジオキサ-7,9,11-トリアザヘプタシクロ[14.12.0.02,13 .03,11 .05,10 .018,27 .019,24 ]オクタコサ-1(16),3,5(10),18(27),19,21,23,25-オクタエン-6,8,28-トリオン
(2S,13S)-7,9,14,14-tetramethyl-15,17-dioxa-7,9,11-triazaheptacyclo[14.12.0.02,13 .03,11 .05,10 .018,27 .019,24 ]octacosa-1(16),3,5(10),18(27),19,21,23,25-octaene-6,8,28-trione
Other name (1):
(3S)-2,2-Dimethyl-3α,4α-[methylene(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-7H-pyrrolo[2,3-d]pyrimidine-7,6-diyl)]-7,8-[1,3]butadieno-3,4-dihydro-2H,10H-1,9-dioxaanthracene-10-one
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