N-[(2-cyanophenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-[(2-cyanophenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-[(2-cyanophenyl)carbamoyl]-2-[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(2-cyanoanilino)-oxomethyl]-2-[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-[(2-cyanophenyl)carbamoyl]-2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-[(2-cyanophenyl)carbamoyl]-2-[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]propionamide Formula: C25H20N6O3S MolecularWeight: 484.5297

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C25H20N6O3S/c1-15-11-12-27-21(13-15)31-23(33)18-8-4-6-10-20(18)29-25(31)35-16(2)22(32)30-24(34)28-19-9-5-3-7-17(19)14-26/h3-13,16H,1-2H3,(H2,28,30,32,34)