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

Systemtic Name: 7-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 1-benzyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione CAS Name: 7-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 1-benzyl-7-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione Traditional Name: 1-benzyl-7-p-anisyl-xanthine Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N4O3/c1-27-16-9-7-15(8-10-16)11-23-13-21-18-17(23)19(25)24(20(26)22-18)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,26)