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

Systemtic Name: 2-[[4-[(2-azanyl-4-sulfanylidene-1H-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-sulfanylidene-1H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2-amino-4-thioxo-1H-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C20H21N7O5S MolecularWeight: 471.48964

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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)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O5S/c1-27(9-11-8-22-16-15(23-11)18(33)26-20(21)25-16)12-4-2-10(3-5-12)17(30)24-13(19(31)32)6-7-14(28)29/h2-5,8,13H,6-7,9H2,1H3,(H,24,30)(H,28,29)(H,31,32)(H3,21,22,25,26,33)