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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(p-tolylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-methylbenzyl)-8-pyrrolidino-xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCCC4)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)N4CCCC4)N(C2=O)C

InChI

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