8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(4-chlorophenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[(4-chlorobenzyl)amino]-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H22ClN5O2/c1-14-5-4-6-16(11-14)13-28-18-19(26(2)22(30)27(3)20(18)29)25-21(28)24-12-15-7-9-17(23)10-8-15/h4-11H,12-13H2,1-3H3,(H,24,25)