3-azanyl-9-(3-methylphenyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione

Systemtic Name: 3-azanyl-9-(3-methylphenyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Openeye Name: 3-amino-9-(m-tolyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione CAS Name: 3-amino-9-(3-methylphenyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione IUPAC Name: 3-amino-9-(3-methylphenyl)-4,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,7-dione Traditional Name: 3-amino-9-(m-tolyl)-4,8,9,10-tetrahydropyrimid[4,5-c]isoquinoline-1,7-quinone Formula: C18H16N4O2 MolecularWeight: 320.34524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CC3=C4C(=NC=C3C(=O)C2)NC(=NC4=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2CC3=C4C(=NC=C3C(=O)C2)NC(=NC4=O)N

InChI

InChI=1S/C18H16N4O2/c1-9-3-2-4-10(5-9)11-6-12-13(14(23)7-11)8-20-16-15(12)17(24)22-18(19)21-16/h2-5,8,11H,6-7H2,1H3,(H3,19,20,21,22,24)