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

Systemtic Name: 4-[2-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanyl]ethylamino]benzoic acid Openeye Name: 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethylamino]benzoic acid CAS Name: 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]ethylamino]benzoic acid IUPAC Name: 4-[2-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanyl]ethylamino]benzoic acid Traditional Name: 4-[2-[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]ethylamino]benzoic acid Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCSC2=C(NC(=NC2=O)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCSC2=C(NC(=NC2=O)N)N

InChI

InChI=1S/C13H15N5O3S/c14-10-9(11(19)18-13(15)17-10)22-6-5-16-8-3-1-7(2-4-8)12(20)21/h1-4,16H,5-6H2,(H,20,21)(H5,14,15,17,18,19)