6-methyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-phenylpiperazino)ethyl]-6-methyl-5-[4-(2-pyrimidyl)piperazino]sulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H30N8O4S2 MolecularWeight: 594.7083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C6=NC=CC=N6

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)N5CCN(CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H30N8O4S2/c1-20-24(41(38,39)35-16-14-33(15-17-35)27-28-8-5-9-29-27)23-25(40-20)30-19-34(26(23)37)18-22(36)32-12-10-31(11-13-32)21-6-3-2-4-7-21/h2-9,19H,10-18H2,1H3