Chem
J-GLOBAL ID:201307018396893931
Nikkaji number:J3.133.090D
1,3-Dimethyl-7-(2-chlorobenzyl)-8-piperazino-7H-purine-2,6(1H,3H)-dione
1,3-ジメチル-7-(2-クロロベンジル)-8-ピペラジノ-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 H21 ClN6 O2
Molecular formula furigana:
C18-H21-CL-N6-O2
Molecular weight:
388.860
InChI:
InChI=1S/C18H21ClN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(11-12-5-3-4-6-13(12)19)17(21-15)24-9-7-20-8-10-24/h3-6,20H,7-11H2,1-2H3
InChI key:
PDZWWGBRZISNRL-UHFFFAOYSA-N
SMILES:
Cn1c2nc(N3CCNCC3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O
Systematic name (3):
1,3-ジメチル-7-(2-クロロベンジル)-8-ピペラジノ-7H-プリン-2,6(1H,3H)-ジオン
7-[(2-クロロフェニル)メチル]-1,3-ジメチル-8-(ピペラジン-1-イル)-2,3,6,7-テトラヒドロ-1H-プリン-2,6-ジオン
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(piperazin-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Other name (1):
1,3-Dimethyl-7-(2-chlorobenzyl)-8-piperazino-7H-purine-2,6(1H,3H)-dione
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