N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H27N5O2S MolecularWeight: 461.57918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)C5CCCC5)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4)C5CCCC5)C

InChI

InChI=1S/C25H27N5O2S/c1-15-16(2)29(17-7-3-4-8-17)23(20(15)13-26)28-22(31)14-33-25-27-21-10-6-5-9-19(21)24(32)30(25)18-11-12-18/h5-6,9-10,17-18H,3-4,7-8,11-12,14H2,1-2H3,(H,28,31)