2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-methylpiperidin-1-yl)carbonyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-methylpiperidin-1-yl)carbonyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-methylpiperidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-[(4-methyl-1-piperidinyl)-oxomethyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-6-(4-methylpiperidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(2,5-dimethylphenyl)thio]methyl]-5-methyl-6-(4-methylpiperidine-1-carbonyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C23H27N3O2S2/c1-13-7-9-26(10-8-13)23(28)20-16(4)19-21(27)24-18(25-22(19)30-20)12-29-17-11-14(2)5-6-15(17)3/h5-6,11,13H,7-10,12H2,1-4H3,(H,24,25,27)