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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(3-methylbutyl)-1-(2-methylphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(3-methylbutyl)-1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-methylbenzoyl)-N-(3-methylbutyl)piperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-1-o-toluoyl-isonipecotamide Formula: C27H39N5O4 MolecularWeight: 497.62966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2CCN(CC2)C(=O)C3=CC=CC=C3C)N

InChI

InChI=1S/C27H39N5O4/c1-5-6-14-32-23(28)22(24(33)29-27(32)36)31(17-11-18(2)3)25(34)20-12-15-30(16-13-20)26(35)21-10-8-7-9-19(21)4/h7-10,18,20H,5-6,11-17,28H2,1-4H3,(H,29,33,36)