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

Systemtic Name: ethyl 4-azanyl-6-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-6-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-6-methyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-6-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furo[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-6-methyl-2-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H18N6O3S MolecularWeight: 410.44962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=CN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=CN3C4=CC=CC=C4)C

InChI

InChI=1S/C19H18N6O3S/c1-3-27-18(26)14-11(2)28-17-15(14)16(20)22-13(23-17)9-29-19-24-21-10-25(19)12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3,(H2,20,22,23)