1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-methylphenyl)methyl]-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(benzylamino)-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCC4=CC=CC=C4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C22H23N5O2/c1-15-9-7-8-12-17(15)14-27-18-19(25(2)22(29)26(3)20(18)28)24-21(27)23-13-16-10-5-4-6-11-16/h4-12H,13-14H2,1-3H3,(H,23,24)