7-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-enoxymethyl)purine-2,6-dione

Systemtic Name: 7-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-enoxymethyl)purine-2,6-dione Openeye Name: 3-(allyloxymethyl)-7-[(2,4-dimethoxyphenyl)methyl]purine-2,6-dione CAS Name: 7-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-enoxymethyl)purine-2,6-dione IUPAC Name: 7-[(2,4-dimethoxyphenyl)methyl]-3-(prop-2-enoxymethyl)purine-2,6-dione Traditional Name: 3-(allyloxymethyl)-7-(2,4-dimethoxybenzyl)xanthine Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3COCC=C)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3COCC=C)OC

InChI

InChI=1S/C18H20N4O5/c1-4-7-27-11-22-16-15(17(23)20-18(22)24)21(10-19-16)9-12-5-6-13(25-2)8-14(12)26-3/h4-6,8,10H,1,7,9,11H2,2-3H3,(H,20,23,24)