2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)-N-[[5,6-bis(oxidanylidene)-2-phenyl-cyclohexa-1,3-dien-1-yl]methyl]-N-hexyl-ethanamide

Systemtic Name: 2-(5-azanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)-N-[[5,6-bis(oxidanylidene)-2-phenyl-cyclohexa-1,3-dien-1-yl]methyl]-N-hexyl-ethanamide Openeye Name: 2-(5-amino-6-oxo-2-phenyl-pyrimidin-1-yl)-N-[(5,6-dioxo-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-N-hexyl-acetamide CAS Name: 2-(5-amino-6-oxo-2-phenyl-1-pyrimidinyl)-N-[(5,6-dioxo-2-phenyl-1-cyclohexa-1,3-dienyl)methyl]-N-hexylacetamide IUPAC Name: 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(5,6-dioxo-2-phenylcyclohexa-1,3-dien-1-yl)methyl]-N-hexylacetamide Traditional Name: 2-(5-amino-6-keto-2-phenyl-pyrimidin-1-yl)-N-[(5,6-diketo-2-phenyl-cyclohexa-1,3-dien-1-yl)methyl]-N-hexyl-acetamide Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC1=C(C=CC(=O)C1=O)C2=CC=CC=C2)C(=O)CN3C(=NC=C(C3=O)N)C4=CC=CC=C4

Isomeric SMILES

CCCCCCN(CC1=C(C=CC(=O)C1=O)C2=CC=CC=C2)C(=O)CN3C(=NC=C(C3=O)N)C4=CC=CC=C4

InChI

InChI=1S/C31H32N4O4/c1-2-3-4-11-18-34(20-25-24(16-17-27(36)29(25)38)22-12-7-5-8-13-22)28(37)21-35-30(23-14-9-6-10-15-23)33-19-26(32)31(35)39/h5-10,12-17,19H,2-4,11,18,20-21,32H2,1H3