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

Systemtic Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C4CCCC4)C

InChI

InChI=1S/C25H29N5O2S/c1-15(2)29-24(32)19-11-7-8-12-21(19)27-25(29)33-14-22(31)28-23-20(13-26)16(3)17(4)30(23)18-9-5-6-10-18/h7-8,11-12,15,18H,5-6,9-10,14H2,1-4H3,(H,28,31)