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

Systemtic Name: 2-[[4-[(4-azanylpteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(4-aminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(4-amino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(4-aminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(4-aminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C20H21N7O5 MolecularWeight: 439.42464

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H21N7O5/c1-27(9-12-8-22-18-16(25-12)17(21)23-10-24-18)13-4-2-11(3-5-13)19(30)26-14(20(31)32)6-7-15(28)29/h2-5,8,10,14H,6-7,9H2,1H3,(H,26,30)(H,28,29)(H,31,32)(H2,21,22,23,24)