7-[(4-chlorophenyl)methyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-(4-chlorobenzyl)-3-methyl-xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN5O2/c1-25(12-14-6-4-3-5-7-14)20-23-18-17(19(28)24-21(29)26(18)2)27(20)13-15-8-10-16(22)11-9-15/h3-11H,12-13H2,1-2H3,(H,24,28,29)