5,6-dimethyl-2-(4-oxidanylbut-2-ynylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(4-oxidanylbut-2-ynylsulfanyl)-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(4-hydroxybut-2-ynylsulfanyl)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(4-hydroxybut-2-ynylthio)-5,6-dimethyl-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(4-hydroxybut-2-ynylsulfanyl)-5,6-dimethyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(4-hydroxybut-2-ynylthio)-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#CCO)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#CCO)C3=CC=CC=C3)C

InChI

InChI=1S/C18H16N2O2S2/c1-12-13(2)24-16-15(12)17(22)20(14-8-4-3-5-9-14)18(19-16)23-11-7-6-10-21/h3-5,8-9,21H,10-11H2,1-2H3