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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

InChI

InChI=1S/C18H18N2O2S2/c1-18(2,3)13(21)10-24-17-19-15(22)14-12(9-23-16(14)20-17)11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,19,20,22)