4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-2,2-bis(chloranyl)pentanedioic acid

Systemtic Name: 4-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-2,2-bis(chloranyl)pentanedioic acid Openeye Name: 2,2-dichloro-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2,2-dichloro-4-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2,2-dichloro-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2,2-dichloro-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C19H18Cl2N8O5 MolecularWeight: 509.30282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CC(C(=O)O)(Cl)Cl)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CC(C(=O)O)(Cl)Cl)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N

InChI

InChI=1S/C19H18Cl2N8O5/c20-19(21,17(33)34)5-11(16(31)32)27-15(30)8-1-3-9(4-2-8)24-6-10-7-25-14-12(26-10)13(22)28-18(23)29-14/h1-4,7,11,24H,5-6H2,(H,27,30)(H,31,32)(H,33,34)(H4,22,23,25,28,29)