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

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-4-methylidene-pentanedioic acid Openeye Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-methylene-pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-4-methylenepentanedioic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-methylene-glutaric acid Formula: C20H20N8O5 MolecularWeight: 452.4234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N8O5/c1-9(18(30)31)6-13(19(32)33)26-17(29)10-2-4-11(5-3-10)23-7-12-8-24-16-14(25-12)15(21)27-20(22)28-16/h2-5,8,13,23H,1,6-7H2,(H,26,29)(H,30,31)(H,32,33)(H4,21,22,24,27,28)