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

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

CC1CCCN(C1)C(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CC1CCCN(C1)C(=O)C2=C(C3=C(S2)N=C(NC3=O)CSC4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C23H27N3O2S2/c1-13-7-8-15(3)17(10-13)29-12-18-24-21(27)19-16(4)20(30-22(19)25-18)23(28)26-9-5-6-14(2)11-26/h7-8,10,14H,5-6,9,11-12H2,1-4H3,(H,24,25,27)