N-[2-(2,4-dimethylphenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(2,4-dimethylphenyl)-6-iodanyl-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide Openeye Name: N-[2-(2,4-dimethylphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide CAS Name: N-[2-(2,4-dimethylphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(2,4-dimethylphenyl)-6-iodo-4-oxo-1,2-dihydroquinazolin-3-yl]pyridine-4-carboxamide Traditional Name: N-[2-(2,4-dimethylphenyl)-6-iodo-4-keto-1,2-dihydroquinazolin-3-yl]isonicotinamide Formula: C22H19IN4O2 MolecularWeight: 498.31633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2NC3=C(C=C(C=C3)I)C(=O)N2NC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C22H19IN4O2/c1-13-3-5-17(14(2)11-13)20-25-19-6-4-16(23)12-18(19)22(29)27(20)26-21(28)15-7-9-24-10-8-15/h3-12,20,25H,1-2H3,(H,26,28)