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

Systemtic Name: 2-[[4-[(4-azanyl-2-methyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(4-amino-2-methyl-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(4-amino-2-methyl-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(4-amino-2-methylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-amino-2-methyl-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C21H23N7O5 MolecularWeight: 453.45122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC=C(N=C2C(=N1)N)CN(C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC2=NC=C(N=C2C(=N1)N)CN(C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H23N7O5/c1-11-24-18(22)17-19(25-11)23-9-13(26-17)10-28(2)14-5-3-12(4-6-14)20(31)27-15(21(32)33)7-8-16(29)30/h3-6,9,15H,7-8,10H2,1-2H3,(H,27,31)(H,29,30)(H,32,33)(H2,22,23,24,25)