Chem
J-GLOBAL ID:200907024398123650
Nikkaji number:J2.774.660H
1-(3,4-Dichlorobenzyl)-3,7-dimethyl-8-morpholino-7H-purine-2,6(1H,3H)-dione
1-(3,4-ジクロロベンジル)-3,7-ジメチル-8-モルホリノ-7H-プリン-2,6(1H,3H)-ジオン
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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:
C18 H19 Cl2 N5 O3
Molecular formula furigana:
C18-H19-CL2-N5-O3
Molecular weight:
424.280
InChI:
InChI=1S/C18H19Cl2N5O3/c1-22-14-15(21-17(22)24-5-7-28-8-6-24)23(2)18(27)25(16(14)26)10-11-3-4-12(19)13(20)9-11/h3-4,9H,5-8,10H2,1-2H3
InChI key:
BFRVAZYYGGLHQS-UHFFFAOYSA-N
SMILES:
Cn1c(nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12)N1CCOCC1
Systematic name (3):
1-(3,4-ジクロロベンジル)-3,7-ジメチル-8-モルホリノ-7H-プリン-2,6(1H,3H)-ジオン
1-[(3,4-ジクロロフェニル)メチル]-3,7-ジメチル-8-(モルホリン-4-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
1-[(3,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(morpholin-4-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1):
1-(3,4-Dichlorobenzyl)-3,7-dimethyl-8-morpholino-7H-purine-2,6(1H,3H)-dione
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