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

Systemtic Name: 1-[1,3-dimethyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]piperidine-4-carboxamide Openeye Name: 1-(7-isopentyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)piperidine-4-carboxamide CAS Name: 1-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]-4-piperidinecarboxamide IUPAC Name: 1-[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]piperidine-4-carboxamide Traditional Name: 1-(7-isoamyl-2,6-diketo-1,3-dimethyl-purin-8-yl)isonipecotamide Formula: C18H28N6O3 MolecularWeight: 376.45332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1N3CCC(CC3)C(=O)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H28N6O3/c1-11(2)5-10-24-13-15(21(3)18(27)22(4)16(13)26)20-17(24)23-8-6-12(7-9-23)14(19)25/h11-12H,5-10H2,1-4H3,(H2,19,25)