4-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoic acid CAS Name: 4-[[5-amino-6-(2,3-dihydroindol-1-yl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoic acid Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)C(=O)O)N

InChI

InChI=1S/C19H17N5O2/c20-16-17(23-14-7-5-13(6-8-14)19(25)26)21-11-22-18(16)24-10-9-12-3-1-2-4-15(12)24/h1-8,11H,9-10,20H2,(H,25,26)(H,21,22,23)