3-cyclopentyl-5,6-dimethyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-cyclopentyl-5,6-dimethyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-cyclopentyl-5,6-dimethyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-cyclopentyl-5,6-dimethyl-2-[[2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-cyclopentyl-5,6-dimethyl-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-cyclopentyl-2-[[2-keto-2-(4-mesylpiperazino)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H28N4O4S3 MolecularWeight: 484.65572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCN(CC3)S(=O)(=O)C)C4CCCC4)C

InChI

InChI=1S/C20H28N4O4S3/c1-13-14(2)30-18-17(13)19(26)24(15-6-4-5-7-15)20(21-18)29-12-16(25)22-8-10-23(11-9-22)31(3,27)28/h15H,4-12H2,1-3H3