5,6-dimethyl-3-(phenylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-3-(phenylmethyl)-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-5,6-dimethyl-2-(3-pyridylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-3-(phenylmethyl)-2-(3-pyridinylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-5,6-dimethyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-5,6-dimethyl-2-(3-pyridylmethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CN=CC=C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CN=CC=C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H19N3OS2/c1-14-15(2)27-19-18(14)20(25)24(12-16-7-4-3-5-8-16)21(23-19)26-13-17-9-6-10-22-11-17/h3-11H,12-13H2,1-2H3