propan-2-yl 6-(5-bromanylpyrimidin-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: propan-2-yl 6-(5-bromanylpyrimidin-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: isopropyl 6-(5-bromopyrimidin-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 6-[(5-bromo-2-pyrimidinyl)oxy]-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-(5-bromopyrimidin-2-yl)oxy-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 6-(5-bromopyrimidin-2-yl)oxy-4-(methoxymethyl)-9H-$b-carboline-3-carboxylic acid isopropyl ester Formula: C21H19BrN4O4 MolecularWeight: 471.30396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OC4=NC=C(C=N4)Br

Isomeric SMILES

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OC4=NC=C(C=N4)Br

InChI

InChI=1S/C21H19BrN4O4/c1-11(2)29-20(27)19-15(10-28-3)18-14-6-13(30-21-24-7-12(22)8-25-21)4-5-16(14)26-17(18)9-23-19/h4-9,11,26H,10H2,1-3H3