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

Systemtic Name: 1-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-purin-8-yl]piperidine-4-carboxamide CAS Name: 1-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-[7-(2-chlorobenzyl)-2,6-diketo-3-methyl-purin-8-yl]isonipecotamide Formula: C19H21ClN6O3 MolecularWeight: 416.86144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4Cl

InChI

InChI=1S/C19H21ClN6O3/c1-24-16-14(17(28)23-19(24)29)26(10-12-4-2-3-5-13(12)20)18(22-16)25-8-6-11(7-9-25)15(21)27/h2-5,11H,6-10H2,1H3,(H2,21,27)(H,23,28,29)