7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Openeye Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one CAS Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Traditional Name: 7-butyl-2-phenyl-8H-pyrimido[4,5-d]pyrimidin-5-one Formula: C16H16N4O MolecularWeight: 280.32444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C2=CN=C(N=C2N1)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=NC(=O)C2=CN=C(N=C2N1)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O/c1-2-3-9-13-18-15-12(16(21)19-13)10-17-14(20-15)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H,17,18,19,20,21)