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

Systemtic Name: ethyl 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H17N7O3S2 MolecularWeight: 443.50268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NN=C(N3N)C4=CN=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CSC3=NN=C(N3N)C4=CN=CC=C4)C

InChI

InChI=1S/C18H17N7O3S2/c1-3-28-17(27)13-9(2)12-15(26)21-11(22-16(12)30-13)8-29-18-24-23-14(25(18)19)10-5-4-6-20-7-10/h4-7H,3,8,19H2,1-2H3,(H,21,22,26)