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

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H25N5O3S/c27-13-5-12-25-20(29)16-8-3-4-9-17(16)23-21(25)30-14-19(28)24-18-10-11-22-26(18)15-6-1-2-7-15/h3-4,8-11,15,27H,1-2,5-7,12-14H2,(H,24,28)