ethyl 4-azanyl-5-methyl-2-[(1-phenylpyrazol-4-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(1-phenylpyrazol-4-yl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-5-methyl-2-[(1-phenylpyrazole-4-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-5-methyl-2-[[oxo-(1-phenyl-4-pyrazolyl)methoxy]methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-5-methyl-2-[(1-phenylpyrazole-4-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-5-methyl-2-[(1-phenylpyrazole-4-carbonyl)oxymethyl]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CN(N=C3)C4=CC=CC=C4)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=CN(N=C3)C4=CC=CC=C4)N)C

InChI

InChI=1S/C21H19N5O4S/c1-3-29-21(28)17-12(2)16-18(22)24-15(25-19(16)31-17)11-30-20(27)13-9-23-26(10-13)14-7-5-4-6-8-14/h4-10H,3,11H2,1-2H3,(H2,22,24,25)