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

Systemtic Name: 4-[3-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]propyl]benzoic acid Openeye Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]benzoic acid CAS Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]propyl]benzoic acid IUPAC Name: 4-[3-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]propyl]benzoic acid Traditional Name: 4-[3-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]propyl]benzoic acid Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCSC2=C(NC(=NC2=O)N)N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCSC2=C(NC(=NC2=O)N)N)C(=O)O

InChI

InChI=1S/C14H16N4O3S/c15-11-10(12(19)18-14(16)17-11)22-7-1-2-8-3-5-9(6-4-8)13(20)21/h3-6H,1-2,7H2,(H,20,21)(H5,15,16,17,18,19)