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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H20N6O2S2 MolecularWeight: 392.499

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N

InChI

InChI=1S/C16H20N6O2S2/c1-4-6-9-20-16(22-21-9)25-7-10-18-13(17)11-8(3)12(15(23)24-5-2)26-14(11)19-10/h4-7H2,1-3H3,(H2,17,18,19)(H,20,21,22)