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

Systemtic Name: ethyl 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propanoate Openeye Name: ethyl 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propanoate CAS Name: 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propanoate Traditional Name: 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propionic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C12H16N4O4/c1-4-20-8(17)5-6-16-11(18)9-10(13-7-14(9)2)15(3)12(16)19/h7H,4-6H2,1-3H3