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

Systemtic Name: 2-[5-azanyl-1-(3,4-dimethylphenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(3,4-dimethylphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(3,4-dimethylphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(3,4-dimethylphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-1-(3,4-dimethylphenyl)-4-keto-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CC(=O)C(=C2N)C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C20H18N4O2/c1-11-7-8-13(9-12(11)2)24-10-16(25)17(18(24)21)19-22-15-6-4-3-5-14(15)20(26)23-19/h3-9H,10,21H2,1-2H3,(H,22,23,26)