5,6-dimethyl-2-[[1-oxidanylidene-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[1-oxidanylidene-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[1-methyl-2-oxo-2-[2-(4-pyridyl)pyrrolidin-1-yl]ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-oxo-1-(2-pyridin-4-yl-1-pyrrolidinyl)propan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-oxo-1-(2-pyridin-4-ylpyrrolidin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-[2-(4-pyridyl)pyrrolidino]ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCC3C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCCC3C4=CC=NC=C4)C

InChI

InChI=1S/C21H24N4O2S2/c1-12-13(2)29-20-18(12)19(26)23-17(24-20)11-28-14(3)21(27)25-10-4-5-16(25)15-6-8-22-9-7-15/h6-9,14,16H,4-5,10-11H2,1-3H3,(H,23,24,26)