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

Systemtic Name: tert-butyl 2-(6-chloranylpyrimidin-4-yl)-6-methyl-indole-1-carboxylate Openeye Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-6-methyl-indole-1-carboxylate CAS Name: 2-(6-chloro-4-pyrimidinyl)-6-methyl-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(6-chloropyrimidin-4-yl)-6-methylindole-1-carboxylate Traditional Name: 2-(6-chloropyrimidin-4-yl)-6-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)C=C(N2C(=O)OC(C)(C)C)C3=CC(=NC=N3)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(N2C(=O)OC(C)(C)C)C3=CC(=NC=N3)Cl

InChI

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