8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(p-anisylamino)xanthine Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C23H25N5O3/c1-15-6-5-7-17(12-15)14-28-19-20(26(2)23(30)27(3)21(19)29)25-22(28)24-13-16-8-10-18(31-4)11-9-16/h5-12H,13-14H2,1-4H3,(H,24,25)