7-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-3-benzyl-7-[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-3-(phenylmethyl)-1-prop-2-enylpurine-2,6-dione IUPAC Name: 3-benzyl-7-[(4-methoxyphenyl)methyl]-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-3-benzyl-7-p-anisyl-xanthine Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC=C

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC=C

InChI

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