1,3-dimethyl-8-(3-methylphenoxy)-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1,3-dimethyl-8-(3-methylphenoxy)xanthine Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1=CC(=CC=C1)OC2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H18N4O3/c1-5-9-21-13-14(19(3)17(23)20(4)15(13)22)18-16(21)24-12-8-6-7-11(2)10-12/h5-8,10H,1,9H2,2-4H3