3-(4-methylphenyl)-7-(2-phenoxyethyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-(4-methylphenyl)-7-(2-phenoxyethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-7-(2-phenoxyethyl)-3-(p-tolyl)purine-2,6-dione CAS Name: 3-(4-methylphenyl)-7-(2-phenoxyethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-(4-methylphenyl)-7-(2-phenoxyethyl)-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-7-(2-phenoxyethyl)-3-(p-tolyl)xanthine Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC=C)N(C=N3)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3/c1-3-13-26-22(28)20-21(27(23(26)29)18-11-9-17(2)10-12-18)24-16-25(20)14-15-30-19-7-5-4-6-8-19/h3-12,16H,1,13-15H2,2H3