tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-cyano-indole-1-carboxylate

Systemtic Name: tert-butyl 2-(6-chloranylpyrimidin-4-yl)-5-cyano-indole-1-carboxylate Openeye Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-5-cyano-indole-1-carboxylate CAS Name: 2-(6-chloro-4-pyrimidinyl)-5-cyano-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-5-cyanoindole-1-carboxylate Traditional Name: 2-(6-chloropyrimidin-4-yl)-5-cyano-indole-1-carboxylic acid tert-butyl ester Formula: C18H15ClN4O2 MolecularWeight: 354.7903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=CC(=NC=N3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=CC(=NC=N3)Cl

InChI

InChI=1S/C18H15ClN4O2/c1-18(2,3)25-17(24)23-14-5-4-11(9-20)6-12(14)7-15(23)13-8-16(19)22-10-21-13/h4-8,10H,1-3H3