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

Systemtic Name: 4-[4-nitro-3-[2,4,6-tris(azanyl)pyrimidin-5-yl]butyl]benzoic acid Openeye Name: 4-[4-nitro-3-(2,4,6-triaminopyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[4-nitro-3-(2,4,6-triamino-5-pyrimidinyl)butyl]benzoic acid IUPAC Name: 4-[4-nitro-3-(2,4,6-triaminopyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[4-nitro-3-(2,4,6-triaminopyrimidin-5-yl)butyl]benzoic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(C[N+](=O)[O-])C2=C(N=C(N=C2N)N)N)C(=O)O

InChI

InChI=1S/C15H18N6O4/c16-12-11(13(17)20-15(18)19-12)10(7-21(24)25)6-3-8-1-4-9(5-2-8)14(22)23/h1-2,4-5,10H,3,6-7H2,(H,22,23)(H6,16,17,18,19,20)