3-methyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-(phenethylamino)purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(phenethylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-(phenethylamino)xanthine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCCC4=CC=CC=C4)N(C(=O)NC3=O)C

InChI

InChI=1S/C22H23N5O2/c1-15-7-6-10-17(13-15)14-27-18-19(26(2)22(29)25-20(18)28)24-21(27)23-12-11-16-8-4-3-5-9-16/h3-10,13H,11-12,14H2,1-2H3,(H,23,24)(H,25,28,29)