2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-5,6-dimethyl-3-(phenylmethyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-5,6-dimethyl-3-(phenylmethyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-3-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-3-benzyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C23H19N3OS3 MolecularWeight: 449.61146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC4=CC=CC=C4S3)CC5=CC=CC=C5)C

InChI

InChI=1S/C23H19N3OS3/c1-14-15(2)29-21-20(14)22(27)26(12-16-8-4-3-5-9-16)23(25-21)28-13-19-24-17-10-6-7-11-18(17)30-19/h3-11H,12-13H2,1-2H3