4-[2-(dimethylazaniumyl)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 4-[2-(dimethylazaniumyl)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[2-(dimethylammonio)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[2-(dimethylammonio)ethylamino]-5-methyl-2-[(phenylthio)methyl]-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[2-(dimethylazaniumyl)ethylamino]-5-methyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[2-(dimethylammonio)ethylamino]-5-methyl-2-[(phenylthio)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)NCC[NH+](C)C)CSC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)NCC[NH+](C)C)CSC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C19H22N4O2S2/c1-12-15-17(20-9-10-23(2)3)21-14(11-26-13-7-5-4-6-8-13)22-18(15)27-16(12)19(24)25/h4-8H,9-11H2,1-3H3,(H,24,25)(H,20,21,22)