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

Systemtic Name: 5,6-dimethyl-2-[[1-(4-methyl-2-phenyl-piperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[[1-methyl-2-(4-methyl-2-phenyl-piperazin-1-yl)-2-oxo-ethyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-(4-methyl-2-phenyl-1-piperazinyl)-1-oxopropan-2-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-(4-methyl-2-phenylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-keto-1-methyl-2-(4-methyl-2-phenyl-piperazino)ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3CCN(CC3C4=CC=CC=C4)C)C

InChI

InChI=1S/C23H28N4O2S2/c1-14-15(2)31-22-20(14)21(28)24-19(25-22)13-30-16(3)23(29)27-11-10-26(4)12-18(27)17-8-6-5-7-9-17/h5-9,16,18H,10-13H2,1-4H3,(H,24,25,28)