4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Openeye Name: 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one CAS Name: 4-[5,6-dimethyl-2-[(phenylthio)methyl]-4-thieno[2,3-d]pyrimidinyl]-2-piperazinone IUPAC Name: 4-[5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Traditional Name: 4-[5,6-dimethyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidin-4-yl]piperazin-2-one Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCNC(=O)C3)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCNC(=O)C3)CSC4=CC=CC=C4)C

InChI

InChI=1S/C19H20N4OS2/c1-12-13(2)26-19-17(12)18(23-9-8-20-16(24)10-23)21-15(22-19)11-25-14-6-4-3-5-7-14/h3-7H,8-11H2,1-2H3,(H,20,24)