butyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate

Systemtic Name: butyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]propanoate Openeye Name: butyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate CAS Name: 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoic acid butyl ester IUPAC Name: butyl 3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propanoate Traditional Name: 3-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)propionic acid butyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCOC(=O)CCC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H20N4O4/c1-4-5-8-22-10(19)7-6-9-15-11-12(16-9)17(2)14(21)18(3)13(11)20/h4-8H2,1-3H3,(H,15,16)