4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethylsulfanyl]benzoic acid

Systemtic Name: 4-[2-[2,4-bis(azanyl)pteridin-6-yl]ethylsulfanyl]benzoic acid Openeye Name: 4-[2-(2,4-diaminopteridin-6-yl)ethylsulfanyl]benzoic acid CAS Name: 4-[2-(2,4-diamino-6-pteridinyl)ethylthio]benzoic acid IUPAC Name: 4-[2-(2,4-diaminopteridin-6-yl)ethylsulfanyl]benzoic acid Traditional Name: 4-[2-(2,4-diaminopteridin-6-yl)ethylthio]benzoic acid Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SCCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SCCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C15H14N6O2S/c16-12-11-13(21-15(17)20-12)18-7-9(19-11)5-6-24-10-3-1-8(2-4-10)14(22)23/h1-4,7H,5-6H2,(H,22,23)(H4,16,17,18,20,21)