2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-3-phenethyl-6-piperidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-3-phenethyl-6-piperidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-5-methyl-6-[oxo(1-piperidinyl)methyl]-3-phenethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-3-phenethyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C27H33N3O3S2 MolecularWeight: 511.69922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CCC3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C27H33N3O3S2/c1-18-21-23(35-22(18)25(33)29-14-9-6-10-15-29)28-26(34-17-20(31)27(2,3)4)30(24(21)32)16-13-19-11-7-5-8-12-19/h5,7-8,11-12H,6,9-10,13-17H2,1-4H3