ethyl 4-azanyl-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(5-amino-1H-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C13H15N7O2S2 MolecularWeight: 365.4339

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NNC(=N3)N)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NNC(=N3)N)N)C

InChI

InChI=1S/C13H15N7O2S2/c1-3-22-11(21)8-5(2)7-9(14)16-6(17-10(7)24-8)4-23-13-18-12(15)19-20-13/h3-4H2,1-2H3,(H2,14,16,17)(H3,15,18,19,20)