6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-5-(1-piperidinylsulfonyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H28N5O4S2+ MolecularWeight: 454.58672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H27N5O4S2/c1-14-17(30(27,28)24-6-4-3-5-7-24)16-18(29-14)20-13-23(19(16)26)12-15(25)22-10-8-21(2)9-11-22/h13H,3-12H2,1-2H3/p+1