3-[2,4-bis(azanyl)pteridin-6-yl]-2-(6-methoxycarbonylpyridin-3-yl)propanoic acid

Systemtic Name: 3-[2,4-bis(azanyl)pteridin-6-yl]-2-(6-methoxycarbonylpyridin-3-yl)propanoic acid Openeye Name: 3-(2,4-diaminopteridin-6-yl)-2-(6-methoxycarbonyl-3-pyridyl)propanoic acid CAS Name: 3-(2,4-diamino-6-pteridinyl)-2-(6-methoxycarbonyl-3-pyridinyl)propanoic acid IUPAC Name: 3-(2,4-diaminopteridin-6-yl)-2-(6-methoxycarbonylpyridin-3-yl)propanoic acid Traditional Name: 2-(6-carbomethoxy-3-pyridyl)-3-(2,4-diaminopteridin-6-yl)propionic acid Formula: C16H15N7O4 MolecularWeight: 369.3348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C(=O)O

InChI

InChI=1S/C16H15N7O4/c1-27-15(26)10-3-2-7(5-19-10)9(14(24)25)4-8-6-20-13-11(21-8)12(17)22-16(18)23-13/h2-3,5-6,9H,4H2,1H3,(H,24,25)(H4,17,18,20,22,23)