1,3-benzodioxol-5-yl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: 1,3-benzodioxol-5-yl 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid 1,3-benzodioxol-5-yl ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H18N4O6/c1-20-16-15(17(24)21(2)18(20)25)22(9-19-16)7-3-4-14(23)28-11-5-6-12-13(8-11)27-10-26-12/h5-6,8-9H,3-4,7,10H2,1-2H3