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

Systemtic Name: 4-[[5,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]butanoate Openeye Name: 4-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 4-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)thio]butanoate IUPAC Name: 4-[(5,6-diamino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 4-[(5,6-diamino-4-keto-1H-pyrimidin-2-yl)thio]butyrate Formula: C8H11N4O3S- MolecularWeight: 243.26294

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])CSC1=NC(=O)C(=C(N1)N)N

Isomeric SMILES

C(CC(=O)[O-])CSC1=NC(=O)C(=C(N1)N)N

InChI

InChI=1S/C8H12N4O3S/c9-5-6(10)11-8(12-7(5)15)16-3-1-2-4(13)14/h1-3,9H2,(H,13,14)(H3,10,11,12,15)/p-1