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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-propoxybenzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-propoxybenzoate CAS Name: 4-propoxybenzoic 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-propoxybenzoate Traditional Name: 4-propoxybenzoic 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:

CCCOC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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