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

Systemtic Name: 1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)piperidine-4-carboxamide Traditional Name: 1-(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)isonipecotamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(CC3)C(=O)N)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6O3/c1-23-17-15(18(28)24(2)20(23)29)26(12-13-6-4-3-5-7-13)19(22-17)25-10-8-14(9-11-25)16(21)27/h3-7,14H,8-12H2,1-2H3,(H2,21,27)