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

Systemtic Name: 1-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]-4-piperidin-1-yl-piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-7-(m-tolylmethyl)-2,6-dioxo-purin-8-yl]-4-(1-piperidyl)piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-4-(1-piperidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-7-[(3-methylphenyl)methyl]-2,6-dioxopurin-8-yl]-4-piperidin-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-(3-methylbenzyl)purin-8-yl]-4-piperidino-isonipecotamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC(CC4)(C(=O)N)N5CCCCC5)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCC(CC4)(C(=O)N)N5CCCCC5)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C26H35N7O3/c1-18-8-7-9-19(16-18)17-33-20-21(29(2)25(36)30(3)22(20)34)28-24(33)31-14-10-26(11-15-31,23(27)35)32-12-5-4-6-13-32/h7-9,16H,4-6,10-15,17H2,1-3H3,(H2,27,35)