5,6-dimethyl-2-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O2S2/c1-14-15(2)30-21-19(14)20(27)23-18(24-21)13-29-16(3)22(28)26-11-9-25(10-12-26)17-7-5-4-6-8-17/h4-8,16H,9-13H2,1-3H3,(H,23,24,27)