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

Systemtic Name: tert-butyl 2-(2-chloranylpyrimidin-4-yl)-5-methyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(2-chloropyrimidin-4-yl)-5-methyl-indole-1-carboxylate CAS Name: 2-(2-chloro-4-pyrimidinyl)-5-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-chloropyrimidin-4-yl)-5-methylindole-1-carboxylate Traditional Name: 2-(2-chloropyrimidin-4-yl)-5-methyl-indole-1-carboxylic acid tert-butyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C3=NC(=NC=C3)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C3=NC(=NC=C3)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H18ClN3O2/c1-11-5-6-14-12(9-11)10-15(13-7-8-20-16(19)21-13)22(14)17(23)24-18(2,3)4/h5-10H,1-4H3