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

Systemtic Name: ethyl 4-azanyl-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H21N7O2S2 MolecularWeight: 467.56714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NN=C(N3C4CC4)C5=CC=NC=C5)N)C

InChI

InChI=1S/C21H21N7O2S2/c1-3-30-20(29)16-11(2)15-17(22)24-14(25-19(15)32-16)10-31-21-27-26-18(28(21)13-4-5-13)12-6-8-23-9-7-12/h6-9,13H,3-5,10H2,1-2H3,(H2,22,24,25)