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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCCC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCCC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C14H17N5O3/c15-11-10(12(20)19-14(16)18-11)2-1-7-17-9-5-3-8(4-6-9)13(21)22/h3-6,17H,1-2,7H2,(H,21,22)(H5,15,16,18,19,20)