4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylsulfanyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-oxidanylidene-7,8-dihydro-1H-pteridin-6-yl)methylsulfanyl]benzoic acid Openeye Name: 4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylsulfanyl]benzoic acid CAS Name: 4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylthio]benzoic acid IUPAC Name: 4-[(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)methylsulfanyl]benzoic acid Traditional Name: 4-[(2-amino-4-keto-7,8-dihydro-1H-pteridin-6-yl)methylthio]benzoic acid Formula: C14H13N5O3S MolecularWeight: 331.34972

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(N1)NC(=NC2=O)N)CSC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C(=NC2=C(N1)NC(=NC2=O)N)CSC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H13N5O3S/c15-14-18-11-10(12(20)19-14)17-8(5-16-11)6-23-9-3-1-7(2-4-9)13(21)22/h1-4H,5-6H2,(H,21,22)(H4,15,16,18,19,20)