propan-2-yl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: propan-2-yl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)C)C(=O)OC(C)C

InChI

InChI=1S/C18H24N4O4S/c1-11(2)26-18(25)15-12(3)14-16(27-15)19-10-22(17(14)24)9-13(23)21-7-5-20(4)6-8-21/h10-11H,5-9H2,1-4H3/p+1