1-(2-methoxyethyl)-7-[(3-methylphenyl)methyl]-3-phenyl-purine-2,6-dione

Systemtic Name: 1-(2-methoxyethyl)-7-[(3-methylphenyl)methyl]-3-phenyl-purine-2,6-dione Openeye Name: 1-(2-methoxyethyl)-7-(m-tolylmethyl)-3-phenyl-purine-2,6-dione CAS Name: 1-(2-methoxyethyl)-7-[(3-methylphenyl)methyl]-3-phenylpurine-2,6-dione IUPAC Name: 1-(2-methoxyethyl)-7-[(3-methylphenyl)methyl]-3-phenylpurine-2,6-dione Traditional Name: 1-(2-methoxyethyl)-7-(3-methylbenzyl)-3-phenyl-xanthine Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CCOC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=CC=C4)CCOC

InChI

InChI=1S/C22H22N4O3/c1-16-7-6-8-17(13-16)14-24-15-23-20-19(24)21(27)25(11-12-29-2)22(28)26(20)18-9-4-3-5-10-18/h3-10,13,15H,11-12,14H2,1-2H3