3-[(2-methoxyphenyl)amino]-7,8,9,10-tetrahydro-4H-pyrimido[4,5-c]isoquinolin-1-one

Systemtic Name: 3-[(2-methoxyphenyl)amino]-7,8,9,10-tetrahydro-4H-pyrimido[4,5-c]isoquinolin-1-one Openeye Name: 3-(2-methoxyanilino)-7,8,9,10-tetrahydro-4H-pyrimido[4,5-c]isoquinolin-1-one CAS Name: 3-(2-methoxyanilino)-7,8,9,10-tetrahydro-4H-pyrimido[4,5-c]isoquinolin-1-one IUPAC Name: 3-(2-methoxyanilino)-7,8,9,10-tetrahydro-4H-pyrimido[4,5-c]isoquinolin-1-one Traditional Name: 3-(o-anisidino)-7,8,9,10-tetrahydro-4H-pyrimid[4,5-c]isoquinolin-1-one Formula: C18H18N4O2 MolecularWeight: 322.36112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=O)C3=C4CCCCC4=CN=C3N2

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=O)C3=C4CCCCC4=CN=C3N2

InChI

InChI=1S/C18H18N4O2/c1-24-14-9-5-4-8-13(14)20-18-21-16-15(17(23)22-18)12-7-3-2-6-11(12)10-19-16/h4-5,8-10H,2-3,6-7H2,1H3,(H2,19,20,21,22,23)