3-(3,4-dimethylphenyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(3,4-dimethylphenyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(3,4-dimethylphenyl)-2-phenacylsulfanyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(3,4-dimethylphenyl)-2-(phenacylthio)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(3,4-dimethylphenyl)-2-phenacylsulfanylthieno[3,2-d]pyrimidin-4-one Traditional Name: 3-(3,4-dimethylphenyl)-2-(phenacylthio)thieno[3,2-d]pyrimidin-4-one Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C22H18N2O2S2/c1-14-8-9-17(12-15(14)2)24-21(26)20-18(10-11-27-20)23-22(24)28-13-19(25)16-6-4-3-5-7-16/h3-12H,13H2,1-2H3