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

Systemtic Name: ethyl 5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CC[NH+](CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CC[NH+](CC3)C)C

InChI

InChI=1S/C16H22N4O3S/c1-4-23-16(22)13-10(2)12-14(21)17-11(18-15(12)24-13)9-20-7-5-19(3)6-8-20/h4-9H2,1-3H3,(H,17,18,21)/p+1