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

Systemtic Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[(4-methoxyphenyl)methylamino]-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(p-anisylamino)xanthine Formula: C22H23N5O3 MolecularWeight: 405.44972

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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)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=C(C=C4)OC)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H23N5O3/c1-14-5-4-6-16(11-14)13-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-12-15-7-9-17(30-3)10-8-15/h4-11H,12-13H2,1-3H3,(H,23,24)(H,25,28,29)