3-(6-azanylpyridin-2-yl)-4-(furan-2-yl)-2-oxidanylidene-3-purin-9-yl-butanoic acid

Systemtic Name: 3-(6-azanylpyridin-2-yl)-4-(furan-2-yl)-2-oxidanylidene-3-purin-9-yl-butanoic acid Openeye Name: 3-(6-amino-2-pyridyl)-4-(2-furyl)-2-oxo-3-purin-9-yl-butanoic acid CAS Name: 3-(6-amino-2-pyridinyl)-4-(2-furanyl)-2-oxo-3-(9-purinyl)butanoic acid IUPAC Name: 3-(6-aminopyridin-2-yl)-4-(furan-2-yl)-2-oxo-3-purin-9-ylbutanoic acid Traditional Name: 3-(6-amino-2-pyridyl)-4-(2-furyl)-2-keto-3-purin-9-yl-butyric acid Formula: C18H14N6O4 MolecularWeight: 378.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1)N)C(CC2=CC=CO2)(C(=O)C(=O)O)N3C=NC4=CN=CN=C43

Isomeric SMILES

C1=CC(=NC(=C1)N)C(CC2=CC=CO2)(C(=O)C(=O)O)N3C=NC4=CN=CN=C43

InChI

InChI=1S/C18H14N6O4/c19-14-5-1-4-13(23-14)18(15(25)17(26)27,7-11-3-2-6-28-11)24-10-22-12-8-20-9-21-16(12)24/h1-6,8-10H,7H2,(H2,19,23)(H,26,27)