2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[[3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C26H29N5O3S MolecularWeight: 491.60516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=CC(=N4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4C(=CC(=N4)C)C

InChI

InChI=1S/C26H29N5O3S/c1-4-34-21-12-10-20(11-13-21)27-24(32)17-35-26-28-23-9-6-5-8-22(23)25(33)30(26)14-7-15-31-19(3)16-18(2)29-31/h5-6,8-13,16H,4,7,14-15,17H2,1-3H3,(H,27,32)