2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-methylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(1-methylpyrazol-3-yl)ethanamide Openeye Name: 2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-methylpyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-N-(1-methyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-methylpyrazol-3-yl)acetamide Traditional Name: 2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]-N-(1-methylpyrazol-3-yl)acetamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NN(C=C3)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=NN(C=C3)C

InChI

InChI=1S/C19H23N5O2S/c1-13(2)8-11-24-18(26)14-6-4-5-7-15(14)20-19(24)27-12-17(25)21-16-9-10-23(3)22-16/h4-7,9-10,13H,8,11-12H2,1-3H3,(H,21,22,25)