1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl pyridine-3-carboxylate hydrochloride

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl pyridine-3-carboxylate hydrochloride Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl pyridine-3-carboxylate hydrochloride CAS Name: 3-pyridinecarboxylic acid 1-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)ethyl ester hydrochloride IUPAC Name: 1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethyl pyridine-3-carboxylate hydrochloride Traditional Name: nicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester hydrochloride Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)OC(=O)C3=CN=CC=C3.Cl

Isomeric SMILES

CC(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)OC(=O)C3=CN=CC=C3.Cl

InChI

InChI=1S/C16H17N5O4.ClH/c1-9(25-15(23)10-6-5-7-17-8-10)12-18-13-11(19(12)2)14(22)21(4)16(24)20(13)3;/h5-9H,1-4H3;1H