2-[3-(2-hydroxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[3-(2-hydroxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[3-(2-hydroxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[3-(2-hydroxyethyl)-4-oxo-2-quinazolinyl]thio]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[3-(2-hydroxyethyl)-4-keto-quinazolin-2-yl]thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C22H21N5O3S MolecularWeight: 435.49884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCO)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCO)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-15-13-19(27(25-15)16-7-3-2-4-8-16)24-20(29)14-31-22-23-18-10-6-5-9-17(18)21(30)26(22)11-12-28/h2-10,13,28H,11-12,14H2,1H3,(H,24,29)