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

Systemtic Name: ethyl 4-azanyl-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylmethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]methyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N6O3S MolecularWeight: 436.4869

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4N3CCC#N)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)CSC3=NC4=CC=CC=C4N3CCC#N)C

InChI

InChI=1S/C21H20N6O3S/c1-3-29-20(28)16-12(2)30-19-17(16)18(23)25-15(26-19)11-31-21-24-13-7-4-5-8-14(13)27(21)10-6-9-22/h4-5,7-8H,3,6,10-11H2,1-2H3,(H2,23,25,26)