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

Systemtic Name: 2-azanyl-2-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonyl-pentanedioic acid Openeye Name: 2-amino-2-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]pentanedioic acid CAS Name: 2-amino-2-[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]pentanedioic acid Traditional Name: 2-amino-2-[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]glutaric acid Formula: C19H20N8O5 MolecularWeight: 440.4127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N8O5/c20-15-13-16(27-18(21)26-15)24-8-11(25-13)7-23-10-3-1-9(2-4-10)14(30)19(22,17(31)32)6-5-12(28)29/h1-4,8,23H,5-7,22H2,(H,28,29)(H,31,32)(H4,20,21,24,26,27)