1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-ethyl-1H-pyrazole-4-carboxylate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-ethyl-1H-pyrazole-4-carboxylate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-ethyl-1H-pyrazole-4-carboxylate CAS Name: 5-ethyl-1H-pyrazole-4-carboxylic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 5-ethyl-1H-pyrazole-4-carboxylate Traditional Name: 5-ethyl-1H-pyrazole-4-carboxylic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCC1=C(C=NN1)C(=O)OC(C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C16H18N4O3S/c1-5-11-10(6-17-20-11)16(22)23-8(3)13-18-14(21)12-7(2)9(4)24-15(12)19-13/h6,8H,5H2,1-4H3,(H,17,20)(H,18,19,21)