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

Systemtic Name: 2-[(2-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(2-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(2-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(2-chlorophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(2-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=C5Cl)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC5=CC=CC=C5Cl)C

InChI

InChI=1S/C21H22ClN5O2/c1-13-11-25-17-18(23-20(25)27(13)15-8-4-5-9-15)24(2)21(29)26(19(17)28)12-14-7-3-6-10-16(14)22/h3,6-7,10-11,15H,4-5,8-9,12H2,1-2H3