2-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl]pyridine-3-carboxylate

Systemtic Name: 2-[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl]pyridine-3-carboxylate Openeye Name: 2-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl]pyridine-3-carboxylate CAS Name: 2-[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl]-3-pyridinecarboxylate IUPAC Name: 2-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl]pyridine-3-carboxylate Traditional Name: 2-[3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl]nicotinate Formula: C16H16N5O5- MolecularWeight: 358.32874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC3=C(C=CC=N3)C(=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC3=C(C=CC=N3)C(=O)[O-])O

InChI

InChI=1S/C16H17N5O5/c1-19-13-12(14(23)20(2)16(19)26)21(8-18-13)7-9(22)6-11-10(15(24)25)4-3-5-17-11/h3-5,8-9,22H,6-7H2,1-2H3,(H,24,25)/p-1