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

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-4-ethyl-pentanedioic acid Openeye Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-ethyl-pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-4-ethylpentanedioic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-ethylpentanedioic acid Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-ethyl-glutaric acid Formula: C21H24N8O5 MolecularWeight: 468.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C21H24N8O5/c1-2-10(19(31)32)7-14(20(33)34)27-18(30)11-3-5-12(6-4-11)24-8-13-9-25-17-15(26-13)16(22)28-21(23)29-17/h3-6,9-10,14,24H,2,7-8H2,1H3,(H,27,30)(H,31,32)(H,33,34)(H4,22,23,25,28,29)