4-[3-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid

Systemtic Name: 4-[3-[(2-azanyl-6-oxidanylidene-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid Openeye Name: 4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid CAS Name: 4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid IUPAC Name: 4-[3-[(2-amino-6-oxo-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid Traditional Name: 4-[3-[(2-amino-6-keto-1H-pyrimidin-5-yl)amino]propylamino]benzoic acid Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCNC2=CN=C(NC2=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCNC2=CN=C(NC2=O)N

InChI

InChI=1S/C14H17N5O3/c15-14-18-8-11(12(20)19-14)17-7-1-6-16-10-4-2-9(3-5-10)13(21)22/h2-5,8,16-17H,1,6-7H2,(H,21,22)(H3,15,18,19,20)