4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]benzoic acid

Systemtic Name: 4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]pyrrolidin-1-yl]benzoic acid Openeye Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoic acid CAS Name: 4-[3-(2,4,6-triamino-5-pyrimidinyl)-1-pyrrolidinyl]benzoic acid IUPAC Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidin-1-yl]benzoic acid Traditional Name: 4-[3-(2,4,6-triaminopyrimidin-5-yl)pyrrolidino]benzoic acid Formula: C15H18N6O2 MolecularWeight: 314.34242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=C(N=C(N=C2N)N)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CC1C2=C(N=C(N=C2N)N)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H18N6O2/c16-12-11(13(17)20-15(18)19-12)9-5-6-21(7-9)10-3-1-8(2-4-10)14(22)23/h1-4,9H,5-7H2,(H,22,23)(H6,16,17,18,19,20)