diethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanedioate

Systemtic Name: diethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanedioate Openeye Name: diethyl 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanedioate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanedioate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)malonic acid diethyl ester Formula: C14H18N4O6 MolecularWeight: 338.31592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C14H18N4O6/c1-5-23-12(20)9(13(21)24-6-2)18-11(19)8-10(15-7-16(8)3)17(4)14(18)22/h7,9H,5-6H2,1-4H3