4-[(2-azanyl-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoic acid

Systemtic Name: 4-[(2-azanyl-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoic acid Openeye Name: 4-[(2-amino-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoic acid CAS Name: 4-[[2-amino-4-(methylthio)-6-pteridinyl]methyl-methylamino]benzoic acid IUPAC Name: 4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoic acid Traditional Name: 4-[[2-amino-4-(methylthio)pteridin-6-yl]methyl-methyl-amino]benzoic acid Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O2S/c1-22(11-5-3-9(4-6-11)15(23)24)8-10-7-18-13-12(19-10)14(25-2)21-16(17)20-13/h3-7H,8H2,1-2H3,(H,23,24)(H2,17,18,20,21)