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

Systemtic Name: 2-[5-azanyl-1-(4-iodophenyl)-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-(4-iodophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-(4-iodophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-(4-iodophenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-1-(4-iodophenyl)-4-keto-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C18H13IN4O2 MolecularWeight: 444.22589

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC=C(C=C2)I)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC=C(C=C2)I)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C18H13IN4O2/c19-10-5-7-11(8-6-10)23-9-14(24)15(16(23)20)17-21-13-4-2-1-3-12(13)18(25)22-17/h1-8H,9,20H2,(H,21,22,25)