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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=NC(=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)C#N)C=C1C3=NC(=NC=C3)Cl

InChI

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