N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=NN4C5CCCC5

InChI

InChI=1S/C25H25N5O3S/c1-33-19-10-6-9-18(15-19)29-24(32)20-11-4-5-12-21(20)27-25(29)34-16-23(31)28-22-13-14-26-30(22)17-7-2-3-8-17/h4-6,9-15,17H,2-3,7-8,16H2,1H3,(H,28,31)