pyridin-3-ylmethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate hydrochloride

Systemtic Name: pyridin-3-ylmethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate hydrochloride Openeye Name: 3-pyridylmethyl 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetate hydrochloride CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetic acid 3-pyridinylmethyl ester hydrochloride IUPAC Name: pyridin-3-ylmethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate hydrochloride Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetic acid 3-pyridylmethyl ester hydrochloride Formula: C15H16ClN5O4 MolecularWeight: 365.77164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC3=CN=CC=C3.Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCC3=CN=CC=C3.Cl

InChI

InChI=1S/C15H15N5O4.ClH/c1-18-13-12(14(22)19(2)15(18)23)20(9-17-13)7-11(21)24-8-10-4-3-5-16-6-10;/h3-6,9H,7-8H2,1-2H3;1H