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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-5-methyl-3-(phenylmethyl)-6-piperidin-1-ylcarbonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-5-methyl-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-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-5-methyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[(2-keto-3,3-dimethyl-butyl)thio]-5-methyl-6-(piperidine-1-carbonyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3)C(=O)N4CCCCC4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C(C)(C)C)CC3=CC=CC=C3)C(=O)N4CCCCC4

InChI

InChI=1S/C26H31N3O3S2/c1-17-20-22(34-21(17)24(32)28-13-9-6-10-14-28)27-25(33-16-19(30)26(2,3)4)29(23(20)31)15-18-11-7-5-8-12-18/h5,7-8,11-12H,6,9-10,13-16H2,1-4H3