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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C19H23N5O3S+2 MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C(=O)OC

InChI

InChI=1S/C19H21N5O3S/c1-12-15-17(25)21-13(22-18(15)28-16(12)19(26)27-2)11-23-7-9-24(10-8-23)14-5-3-4-6-20-14/h3-6H,7-11H2,1-2H3,(H,21,22,25)/p+2