Chem
J-GLOBAL ID:200907046619311060
Nikkaji number:J2.563.739I
(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)]-3,4-dihydro-2H,10H-1-oxa-9-thiaanthracene-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)]-3,4-ジヒドロ-2H,10H-1-オキサ-9-チアアントラセン-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:
C23 H21 N3 O4 S
Molecular formula furigana:
C23-H21-N3-O4-S
Molecular weight:
435.500
InChI:
InChI=1S/C23H21N3O4S/c1-23(2)13-10-26-14(9-12-19(26)24(3)22(29)25(4)20(12)28)16(13)17-18(27)11-7-5-6-8-15(11)31-21(17)30-23/h5-9,13,16H,10H2,1-4H3/t13-,16-/m1/s1
InChI key:
ZBSACPVSWLDPQS-CZUORRHYSA-N
SMILES:
Cn1c2n3C[C@@H]4[C@H](c3cc2c(=O)n(C)c1=O)c1c(OC4(C)C)sc2ccccc2c1=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)]-3,4-ジヒドロ-2H,10H-1-オキサ-9-チアアントラセン-10-オン
(1S,14S)-13,13,18,20-テトラメチル-12-オキサ-10-チア-16,18,20-トリアザヘキサシクロ[12.10.0.02,11 .04,9 .016,24 .017,22 ]テトラコサ-2(11),4,6,8,17(22),23-ヘキサエン-3,19,21-トリオン
(1S,14S)-13,13,18,20-tetramethyl-12-oxa-10-thia-16,18,20-triazahexacyclo[12.10.0.02,11 .04,9 .016,24 .017,22 ]tetracosa-2(11),4,6,8,17(22),23-hexaene-3,19,21-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)]-3,4-dihydro-2H,10H-1-oxa-9-thiaanthracene-10-one
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