5-cyclopropyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-cyclopropyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 5-cyclopropyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3CC3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c1-21(2,3)16(24)12-27-20-22-18-17(15(11-26-18)13-9-10-13)19(25)23(20)14-7-5-4-6-8-14/h4-8,11,13H,9-10,12H2,1-3H3