2-[[4-[2,4-bis(azanyl)pteridin-6-yl]-6-ethyl-pyridin-3-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[2,4-bis(azanyl)pteridin-6-yl]-6-ethyl-pyridin-3-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(2,4-diaminopteridin-6-yl)-6-ethyl-pyridine-3-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[4-(2,4-diamino-6-pteridinyl)-6-ethyl-3-pyridinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(2,4-diaminopteridin-6-yl)-6-ethylpyridine-3-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[4-(2,4-diaminopteridin-6-yl)-6-ethyl-nicotinoyl]amino]glutaric acid Formula: C19H20N8O5 MolecularWeight: 440.4127

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=C(C(=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCC1=NC=C(C(=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H20N8O5/c1-2-8-5-9(12-7-23-16-14(24-12)15(20)26-19(21)27-16)10(6-22-8)17(30)25-11(18(31)32)3-4-13(28)29/h5-7,11H,2-4H2,1H3,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)