2-[6-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid

Systemtic Name: 2-[6-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]-3-oxidanylidene-1H-isoindol-2-yl]pentanedioic acid Openeye Name: 2-[5-[(2,4-diaminopteridin-6-yl)methylamino]-1-oxo-isoindolin-2-yl]pentanedioic acid CAS Name: 2-[6-[(2,4-diamino-6-pteridinyl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid IUPAC Name: 2-[6-[(2,4-diaminopteridin-6-yl)methylamino]-3-oxo-1H-isoindol-2-yl]pentanedioic acid Traditional Name: 2-[5-[(2,4-diaminopteridin-6-yl)methylamino]-1-keto-isoindolin-2-yl]glutaric acid Formula: C20H20N8O5 MolecularWeight: 452.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)N1C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)N1C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H20N8O5/c21-16-15-17(27-20(22)26-16)24-7-11(25-15)6-23-10-1-2-12-9(5-10)8-28(18(12)31)13(19(32)33)3-4-14(29)30/h1-2,5,7,13,23H,3-4,6,8H2,(H,29,30)(H,32,33)(H4,21,22,24,26,27)