1-methyl-7-[2-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid

Systemtic Name: 1-methyl-7-[2-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-indole-2-carboxylic acid Openeye Name: 7-[2-(benzylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid CAS Name: 1-methyl-7-[[2-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-2-indolecarboxylic acid IUPAC Name: 7-[2-(benzylamino)pyrimidin-4-yl]oxy-1-methylindole-2-carboxylic acid Traditional Name: 7-[2-(benzylamino)pyrimidin-4-yl]oxy-1-methyl-indole-2-carboxylic acid Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN1C(=CC2=C1C(=CC=C2)OC3=NC(=NC=C3)NCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H18N4O3/c1-25-16(20(26)27)12-15-8-5-9-17(19(15)25)28-18-10-11-22-21(24-18)23-13-14-6-3-2-4-7-14/h2-12H,13H2,1H3,(H,26,27)(H,22,23,24)