N-[3-[methyl-(6-methylpyridin-3-yl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide

Systemtic Name: N-[3-[methyl-(6-methylpyridin-3-yl)carbonyl-amino]propyl]-4-oxidanylidene-1H-quinazoline-2-carboxamide Openeye Name: N-[3-[methyl-(6-methylpyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide CAS Name: N-[3-[methyl-[(6-methyl-3-pyridinyl)-oxomethyl]amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide IUPAC Name: N-[3-[methyl-(6-methylpyridine-3-carbonyl)amino]propyl]-4-oxo-1H-quinazoline-2-carboxamide Traditional Name: 4-keto-N-[3-[methyl-(6-methylnicotinoyl)amino]propyl]-1H-quinazoline-2-carboxamide Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C(=O)N(C)CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=NC=C(C=C1)C(=O)N(C)CCCNC(=O)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H21N5O3/c1-13-8-9-14(12-22-13)20(28)25(2)11-5-10-21-19(27)17-23-16-7-4-3-6-15(16)18(26)24-17/h3-4,6-9,12H,5,10-11H2,1-2H3,(H,21,27)(H,23,24,26)