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

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H23N7O2S2 MolecularWeight: 469.58302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=NC(=C3C(=C(SC3=N2)C(=O)OCC)C)N)C4=CC=NC=C4

InChI

InChI=1S/C21H23N7O2S2/c1-4-10-28-18(13-6-8-23-9-7-13)26-27-21(28)31-11-14-24-17(22)15-12(3)16(20(29)30-5-2)32-19(15)25-14/h6-9H,4-5,10-11H2,1-3H3,(H2,22,24,25)