4-[4-[(2-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid

Systemtic Name: 4-[4-[(2-azanyl-5-nitroso-4-oxidanylidene-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid Openeye Name: 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid CAS Name: 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid IUPAC Name: 4-[4-[(2-amino-5-nitroso-4-oxo-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid Traditional Name: 4-[4-[(2-amino-4-keto-5-nitroso-1H-pyrimidin-6-yl)amino]butylamino]benzoic acid Formula: C15H18N6O4 MolecularWeight: 346.34122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCCNC2=C(C(=O)N=C(N2)N)N=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCCNC2=C(C(=O)N=C(N2)N)N=O

InChI

InChI=1S/C15H18N6O4/c16-15-19-12(11(21-25)13(22)20-15)18-8-2-1-7-17-10-5-3-9(4-6-10)14(23)24/h3-6,17H,1-2,7-8H2,(H,23,24)(H4,16,18,19,20,22)