4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]benzoic acid

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]benzoic acid Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methylamino]benzoic acid IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid Formula: C12H13N5O2 MolecularWeight: 259.26392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCC2=CN=C(N=C2N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCC2=CN=C(N=C2N)N

InChI

InChI=1S/C12H13N5O2/c13-10-8(6-16-12(14)17-10)5-15-9-3-1-7(2-4-9)11(18)19/h1-4,6,15H,5H2,(H,18,19)(H4,13,14,16,17)