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

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]benzoic acid Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]benzoic acid CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]benzoic acid IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]benzoic acid Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]benzoic acid Formula: C12H12N4O2 MolecularWeight: 244.24928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CN=C(N=C2N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC2=CN=C(N=C2N)N)C(=O)O

InChI

InChI=1S/C12H12N4O2/c13-10-9(6-15-12(14)16-10)5-7-1-3-8(4-2-7)11(17)18/h1-4,6H,5H2,(H,17,18)(H4,13,14,15,16)