4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoic acid Formula: C15H14N6O2S MolecularWeight: 342.37566

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=S)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=S)N=C(N2)N)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H14N6O2S/c1-21(10-4-2-8(3-5-10)14(22)23)7-9-6-17-12-11(18-9)13(24)20-15(16)19-12/h2-6H,7H2,1H3,(H,22,23)(H3,16,17,19,20,24)