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

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-16-14-20(28(26-16)17-8-3-2-4-9-17)25-21(30)15-32-23-24-19-11-6-5-10-18(19)22(31)27(23)12-7-13-29/h2-6,8-11,14,29H,7,12-13,15H2,1H3,(H,25,30)