3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-propan-2-yloxybenzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-propan-2-yloxybenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-isopropoxybenzoate CAS Name: 4-propan-2-yloxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-propan-2-yloxybenzoate Traditional Name: 4-isopropoxybenzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C20H24N4O5/c1-13(2)29-15-8-6-14(7-9-15)19(26)28-11-5-10-24-18(25)16-17(21-12-22(16)3)23(4)20(24)27/h6-9,12-13H,5,10-11H2,1-4H3