N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(5-cyanopyridin-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-1-(5-cyanopyridin-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-1-(5-cyano-2-pyridyl)-N-isopentyl-piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-1-(5-cyano-2-pyridinyl)-N-(3-methylbutyl)-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(5-cyanopyridin-2-yl)-N-(3-methylbutyl)piperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-1-(5-cyano-2-pyridyl)-N-isoamyl-isonipecotamide Formula: C25H35N7O3 MolecularWeight: 481.5905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N)N

InChI

InChI=1S/C25H35N7O3/c1-4-5-11-32-22(27)21(23(33)29-25(32)35)31(14-8-17(2)3)24(34)19-9-12-30(13-10-19)20-7-6-18(15-26)16-28-20/h6-7,16-17,19H,4-5,8-14,27H2,1-3H3,(H,29,33,35)