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

Systemtic Name: ethyl 5-methyl-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C17H22N4O4S/c1-4-25-17(24)14-11(2)13-15(26-14)18-10-21(16(13)23)9-12(22)20-7-5-19(3)6-8-20/h10H,4-9H2,1-3H3/p+1