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

Systemtic Name: 2-[[4-[(2-azanyl-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2-amino-4-methylsulfanyl-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-amino-4-(methylthio)-6-pteridinyl]methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2-amino-4-methylsulfanylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-amino-4-(methylthio)pteridin-6-yl]methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C21H23N7O5S MolecularWeight: 485.51622

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N7O5S/c1-28(10-12-9-23-17-16(24-12)19(34-2)27-21(22)26-17)13-5-3-11(4-6-13)18(31)25-14(20(32)33)7-8-15(29)30/h3-6,9,14H,7-8,10H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H2,22,23,26,27)