ethyl 5-methyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[(4-allyl-1,2,4-triazol-3-yl)thio]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN=C2SC3=NN=CN3CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN=C2SC3=NN=CN3CC=C)C

InChI

InChI=1S/C15H15N5O2S2/c1-4-6-20-8-18-19-15(20)24-13-10-9(3)11(14(21)22-5-2)23-12(10)16-7-17-13/h4,7-8H,1,5-6H2,2-3H3