N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-2-(4-pyrrol-1-ylphenyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(phenylmethyl)-2-(4-pyrrol-1-ylphenyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-(4-pyrrol-1-ylphenyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(phenylmethyl)-2-[4-(1-pyrrolyl)phenyl]acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-pyrrol-1-ylphenyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-(4-pyrrol-1-ylphenyl)acetamide Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C=CC=C4)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CC3=CC=C(C=C3)N4C=CC=C4)N

InChI

InChI=1S/C27H29N5O3/c1-2-3-17-31-25(28)24(26(34)29-27(31)35)32(19-21-9-5-4-6-10-21)23(33)18-20-11-13-22(14-12-20)30-15-7-8-16-30/h4-16H,2-3,17-19,28H2,1H3,(H,29,34,35)