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

Systemtic Name: ethyl 4-azanyl-2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-amino-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(4-amino-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C13H15N7O3S MolecularWeight: 349.3683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=CN3N)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=CN3N)C

InChI

InChI=1S/C13H15N7O3S/c1-3-22-12(21)8-6(2)23-11-9(8)10(14)17-7(18-11)4-24-13-19-16-5-20(13)15/h5H,3-4,15H2,1-2H3,(H2,14,17,18)