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

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

Systemtic Name:4-[[2,4-bis(azanyl)pyrimidin-5-yl]methylamino]benzoic acid hydrobromide
Openeye Name:4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid hydrobromide
CAS Name:4-[(2,4-diamino-5-pyrimidinyl)methylamino]benzoic acid hydrobromide
IUPAC Name:4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid hydrobromide
Traditional Name:4-[(2,4-diaminopyrimidin-5-yl)methylamino]benzoic acid hydrobromide
Formula: C12H14BrN5O2
MolecularWeight: 340.17586
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H13N5O2.BrH/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);1H


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