2-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C17H19N5O3S3 MolecularWeight: 437.55946

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C17H19N5O3S3/c1-21-5-7-22(8-6-21)28(24,25)12-2-3-15(18-10-12)27-11-14-19-13-4-9-26-16(13)17(23)20-14/h2-4,9-10H,5-8,11H2,1H3,(H,19,20,23)