4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl-methyl-amino]benzoic acid hydrobromide

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl-methyl-amino]benzoic acid hydrobromide Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid hydrobromide CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl-methylamino]benzoic acid hydrobromide IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl-methylamino]benzoic acid hydrobromide Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid hydrobromide Formula: C13H16BrN5O2 MolecularWeight: 354.20244

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(N=C1N)N)C2=CC=C(C=C2)C(=O)O.Br

Isomeric SMILES

CN(CC1=CN=C(N=C1N)N)C2=CC=C(C=C2)C(=O)O.Br

InChI

InChI=1S/C13H15N5O2.BrH/c1-18(7-9-6-16-13(15)17-11(9)14)10-4-2-8(3-5-10)12(19)20;/h2-6H,7H2,1H3,(H,19,20)(H4,14,15,16,17);1H