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

Systemtic Name: ethyl 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]-2H-pyridine-3-carboxylate Openeye Name: ethyl 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)-2H-pyridine-3-carboxylate CAS Name: 1-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)-2H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)-2H-pyridine-3-carboxylate Traditional Name: 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)-2H-pyridine-3-carboxylic acid ethyl ester Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)C1=CC=CN(C1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C16H19N5O4/c1-5-25-14(23)10-7-6-8-21(9-10)15-17-12-11(18(15)2)13(22)20(4)16(24)19(12)3/h6-8H,5,9H2,1-4H3