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

Systemtic Name: methyl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H21N4O4S+ MolecularWeight: 365.42734

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O4S/c1-10-12-14(25-13(10)16(23)24-3)17-9-20(15(12)22)8-11(21)19-6-4-18(2)5-7-19/h9H,4-8H2,1-3H3/p+1