4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]benzoic acid

Systemtic Name: 4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]benzoic acid Openeye Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]benzoic acid CAS Name: 4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]benzoic acid Traditional Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]benzoic acid Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OCCCC2=C(N=C(N=C2N)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OCCCC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C14H17N5O3/c15-11-10(12(16)19-14(17)18-11)2-1-7-22-9-5-3-8(4-6-9)13(20)21/h3-6H,1-2,7H2,(H,20,21)(H6,15,16,17,18,19)