N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-ethanoyl-benzamide

Systemtic Name: N-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propyl]-4-ethanoyl-benzamide Openeye Name: 4-acetyl-N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]benzamide CAS Name: 4-acetyl-N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]benzamide IUPAC Name: 4-acetyl-N-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propyl]benzamide Traditional Name: 4-acetyl-N-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propyl]benzamide Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=C(NC(=NC2=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)NCCCC2=C(NC(=NC2=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3/c1-14(27)15-9-11-17(12-10-15)20(28)24-13-5-8-18-19(16-6-3-2-4-7-16)25-22(23)26-21(18)29/h2-4,6-7,9-12H,5,8,13H2,1H3,(H,24,28)(H3,23,25,26,29)