N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-N-(3-methylbutyl)-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-N-(3-methylbutyl)-3-pyrrol-1-yl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-methyl-N-(3-methylbutyl)-3-(1-pyrrolyl)benzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(3-methylbutyl)-3-pyrrol-1-ylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-4-methyl-3-pyrrol-1-yl-benzamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)C2=CC(=C(C=C2)C)N3C=CC=C3)N

InChI

InChI=1S/C25H33N5O3/c1-5-6-14-30-22(26)21(23(31)27-25(30)33)29(15-11-17(2)3)24(32)19-10-9-18(4)20(16-19)28-12-7-8-13-28/h7-10,12-13,16-17H,5-6,11,14-15,26H2,1-4H3,(H,27,31,33)