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

Systemtic Name: ethyl 4-azanyl-2-[(3-cyano-5-ethoxycarbonyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridyl)sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-cyano-5-ethoxycarbonyl-6-methylpyridin-2-yl)sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(5-carbethoxy-3-cyano-6-methyl-2-pyridyl)thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC(=C3C(=C(OC3=N2)C)C(=O)OCC)N)C

InChI

InChI=1S/C21H21N5O5S/c1-5-29-20(27)13-7-12(8-22)19(24-10(13)3)32-9-14-25-17(23)16-15(21(28)30-6-2)11(4)31-18(16)26-14/h7H,5-6,9H2,1-4H3,(H2,23,25,26)