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

Systemtic Name: ethyl 4-azanyl-2-[(4-azanyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(4-amino-5-cyclohexyl-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-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N7O3S MolecularWeight: 431.5119

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=C(N3N)C4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NN=C(N3N)C4CCCCC4)C

InChI

InChI=1S/C19H25N7O3S/c1-3-28-18(27)13-10(2)29-17-14(13)15(20)22-12(23-17)9-30-19-25-24-16(26(19)21)11-7-5-4-6-8-11/h11H,3-9,21H2,1-2H3,(H2,20,22,23)