N-[3-[(3-iodanylphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(3-iodanylphenyl)carbonyl-methyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(3-iodobenzoyl)-methyl-amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(3-iodophenyl)-oxomethyl]-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(3-iodobenzoyl)-methylamino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(3-iodobenzoyl)-methyl-amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C20H19IN4O3 MolecularWeight: 490.29433

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)I

Isomeric SMILES

CN(CCCNC(=O)C1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H19IN4O3/c1-25(20(28)13-6-4-7-14(21)12-13)11-5-10-22-19(27)17-23-16-9-3-2-8-15(16)18(26)24-17/h2-4,6-9,12H,5,10-11H2,1H3,(H,22,27)(H,23,24,26)