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

Systemtic Name: 4-[4-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]butyl]benzoic acid Openeye Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid CAS Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid IUPAC Name: 4-[4-(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)butyl]benzoic acid Traditional Name: 4-[4-(2,6-diamino-4-keto-1H-pyrimidin-5-yl)butyl]benzoic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCCC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C15H18N4O3/c16-12-11(13(20)19-15(17)18-12)4-2-1-3-9-5-7-10(8-6-9)14(21)22/h5-8H,1-4H2,(H,21,22)(H5,16,17,18,19,20)