ethyl 2,4-bis(1H-indazol-5-ylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-bis(1H-indazol-5-ylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-bis(1H-indazol-5-ylamino)pyrimidine-5-carboxylate CAS Name: 2,4-bis(1H-indazol-5-ylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-bis(1H-indazol-5-ylamino)pyrimidine-5-carboxylate Traditional Name: 2,4-bis(1H-indazol-5-ylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N8O2 MolecularWeight: 414.42002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)NC4=CC5=C(C=C4)NN=C5

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)NC4=CC5=C(C=C4)NN=C5

InChI

InChI=1S/C21H18N8O2/c1-2-31-20(30)16-11-22-21(26-15-4-6-18-13(8-15)10-24-29-18)27-19(16)25-14-3-5-17-12(7-14)9-23-28-17/h3-11H,2H2,1H3,(H,23,28)(H,24,29)(H2,22,25,26,27)