N-[3-[(2-chloranylpyridin-3-yl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[(2-chloranylpyridin-3-yl)carbonylamino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[(2-chloropyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[(2-chloropyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: N-[3-[(2-chloronicotinoyl)amino]propyl]-4-keto-1H-quinazoline-2-carboxamide Formula: C18H16ClN5O3 MolecularWeight: 385.80434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)NCCCNC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H16ClN5O3/c19-14-12(6-3-8-20-14)16(25)21-9-4-10-22-18(27)15-23-13-7-2-1-5-11(13)17(26)24-15/h1-3,5-8H,4,9-10H2,(H,21,25)(H,22,27)(H,23,24,26)