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

Systemtic Name: ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butanoate Openeye Name: ethyl 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butanoate CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoate Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)butyric acid ethyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-5-8(12(19)21-6-2)17-11(18)9-10(14-7-15(9)3)16(4)13(17)20/h7-8H,5-6H2,1-4H3