ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-dimethylaminomethyleneamino]-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate CAS Name: 5-[(E)-dimethylaminomethylideneamino]-1-(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[(E)-dimethylaminomethyleneamino]-1-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C3C=C(SC3=NC(=N2)C)C4=CC=CC=C4)N=CN(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C3C=C(SC3=NC(=N2)C)C4=CC=CC=C4)/N=C/N(C)C

InChI

InChI=1S/C22H22N6O2S/c1-5-30-22(29)17-12-24-28(19(17)23-13-27(3)4)20-16-11-18(15-9-7-6-8-10-15)31-21(16)26-14(2)25-20/h6-13H,5H2,1-4H3/b23-13+