4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-azanyl-6-[methyl-(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-amino-6-[methyl-(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]amino]benzoic acid Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H19N5O2/c1-24(11-13-5-3-2-4-6-13)18-16(20)17(21-12-22-18)23-15-9-7-14(8-10-15)19(25)26/h2-10,12H,11,20H2,1H3,(H,25,26)(H,21,22,23)