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

Systemtic Name: ethyl 4-azanyl-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(5-cyclopropyl-1H-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-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N6O3S MolecularWeight: 374.41752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NNC(=N3)C4CC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NNC(=N3)C4CC4)C

InChI

InChI=1S/C16H18N6O3S/c1-3-24-15(23)10-7(2)25-14-11(10)12(17)18-9(19-14)6-26-16-20-13(21-22-16)8-4-5-8/h8H,3-6H2,1-2H3,(H2,17,18,19)(H,20,21,22)