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

Systemtic Name: 4-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]phthalic acid Openeye Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]phthalic acid CAS Name: 4-[(2,4-diamino-5-pyrimidinyl)methyl]phthalic acid IUPAC Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]phthalic acid Traditional Name: 4-[(2,4-diaminopyrimidin-5-yl)methyl]phthalic acid Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4/c14-10-7(5-16-13(15)17-10)3-6-1-2-8(11(18)19)9(4-6)12(20)21/h1-2,4-5H,3H2,(H,18,19)(H,20,21)(H4,14,15,16,17)