2-[(3-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[(3-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(3-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(3-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(3-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(3-chlorobenzyl)-6-cyclopentyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC5=CC(=CC=C5)Cl)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC5=CC(=CC=C5)Cl)C

InChI

InChI=1S/C21H22ClN5O2/c1-13-11-25-17-18(23-20(25)27(13)16-8-3-4-9-16)24(2)21(29)26(19(17)28)12-14-6-5-7-15(22)10-14/h5-7,10-11,16H,3-4,8-9,12H2,1-2H3