4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]-N-phenyl-piperazine-1-carboxamide Formula: C26H29N7O3 MolecularWeight: 487.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)NC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2N4CCN(CC4)C(=O)NC5=CC=CC=C5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H29N7O3/c1-18-9-11-19(12-10-18)17-33-21-22(29(2)26(36)30(3)23(21)34)28-24(33)31-13-15-32(16-14-31)25(35)27-20-7-5-4-6-8-20/h4-12H,13-17H2,1-3H3,(H,27,35)