4-[2-azanyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzoic acid

Systemtic Name: 4-[2-azanyl-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzoic acid Openeye Name: 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzoic acid CAS Name: 4-[2-amino-4-(1-methyl-3-indolyl)-5-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzoic acid Traditional Name: 4-[2-amino-4-(1-methylindol-3-yl)pyrimidin-5-yl]benzoic acid Formula: C20H16N4O2 MolecularWeight: 344.36664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3C4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C20H16N4O2/c1-24-11-16(14-4-2-3-5-17(14)24)18-15(10-22-20(21)23-18)12-6-8-13(9-7-12)19(25)26/h2-11H,1H3,(H,25,26)(H2,21,22,23)