ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-3-oxo-butanoate CAS Name: 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)-3-oxobutanoate Traditional Name: 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)-3-keto-butyric acid ethyl ester Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CC(=O)CN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C13H16N4O5/c1-4-22-9(19)5-8(18)6-17-12(20)10-11(14-7-15(10)2)16(3)13(17)21/h7H,4-6H2,1-3H3