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

Systemtic Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[1,3-dimethyl-2,6-dioxo-7-(p-tolylmethyl)purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[2,6-diketo-1,3-dimethyl-7-(4-methylbenzyl)purin-8-yl]isonipecotamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O3/c1-13-4-6-14(7-5-13)12-27-16-18(24(2)21(30)25(3)19(16)29)23-20(27)26-10-8-15(9-11-26)17(22)28/h4-7,15H,8-12H2,1-3H3,(H2,22,28)