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

Systemtic Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-dimethylaminomethyleneamino]-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate CAS Name: 5-[(E)-dimethylaminomethylideneamino]-1-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-dimethylaminomethylideneamino]-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-[(E)-dimethylaminomethyleneamino]-1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O2S/c1-4-29-21(28)16-11-25-27(19(16)24-13-26(2)3)18-15-10-17(14-8-6-5-7-9-14)30-20(15)23-12-22-18/h5-13H,4H2,1-3H3/b24-13+