3-(6-methylpyridin-2-yl)-2-(2-oxidanylidenepropylsulfanyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-(6-methylpyridin-2-yl)-2-(2-oxidanylidenepropylsulfanyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-acetonylsulfanyl-3-(6-methyl-2-pyridyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-(6-methyl-2-pyridinyl)-2-(2-oxopropylthio)-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-(6-methylpyridin-2-yl)-2-(2-oxopropylsulfanyl)-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(acetonylthio)-3-(6-methyl-2-pyridyl)-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)C)SC=C3C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)N2C(=O)C3=C(N=C2SCC(=O)C)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2S2/c1-13-7-6-10-17(22-13)24-20(26)18-16(15-8-4-3-5-9-15)12-27-19(18)23-21(24)28-11-14(2)25/h3-10,12H,11H2,1-2H3