ethyl 5-azanyl-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[5-(3,4-dimethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C(=CSC3=NC=N2)C4=CC(=C(C=C4)C)C)N

InChI

InChI=1S/C20H19N5O2S/c1-4-27-20(26)14-8-24-25(17(14)21)18-16-15(9-28-19(16)23-10-22-18)13-6-5-11(2)12(3)7-13/h5-10H,4,21H2,1-3H3