methyl 5-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C12H10N4O3S MolecularWeight: 290.2978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C12H10N4O3S/c1-18-11(17)9-3-2-8(19-9)6-20-12-15-5-7(4-13)10(14)16-12/h2-3,5H,6H2,1H3,(H2,14,15,16)