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

Systemtic Name: ethyl 4-azanyl-2-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonyloxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H20ClN5O4S MolecularWeight: 485.9433

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=C(N(N=C3C)C4=CC=CC=C4)Cl)N)C

InChI

InChI=1S/C22H20ClN5O4S/c1-4-31-22(30)17-11(2)15-19(24)25-14(26-20(15)33-17)10-32-21(29)16-12(3)27-28(18(16)23)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H2,24,25,26)