3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-4-prop-2-enoxy-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methoxy-4-prop-2-enoxy-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-allyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-prop-2-enoxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-methoxy-4-prop-2-enoxybenzoate Traditional Name: 4-allyloxy-3-methoxy-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=C(C=C3)OCC=C)OC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC(=C(C=C3)OCC=C)OC

InChI

InChI=1S/C21H24N4O6/c1-5-10-30-15-8-7-14(12-16(15)29-4)20(27)31-11-6-9-25-19(26)17-18(22-13-23(17)2)24(3)21(25)28/h5,7-8,12-13H,1,6,9-11H2,2-4H3