2-[5-azanyl-1-(2,4-dimethoxyphenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-(2,4-dimethoxyphenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(2,4-dimethoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(2,4-dimethoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(2,4-dimethoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-1-(2,4-dimethoxyphenyl)-4-keto-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C20H18N4O4 MolecularWeight: 378.38132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C20H18N4O4/c1-27-11-7-8-14(16(9-11)28-2)24-10-15(25)17(18(24)21)19-22-13-6-4-3-5-12(13)20(26)23-19/h3-9H,10,21H2,1-2H3,(H,22,23,26)