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

Systemtic Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(m-tolylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylphenyl)methyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-pyrrolidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCC4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H23N5O2/c1-13-7-6-8-14(11-13)12-24-15-16(20-18(24)23-9-4-5-10-23)21(2)19(26)22(3)17(15)25/h6-8,11H,4-5,9-10,12H2,1-3H3