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

Systemtic Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(m-tolylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-[(3-methylphenyl)methyl]-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbenzyl)-8-pyrrolidino-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2N4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C18H21N5O2/c1-12-6-5-7-13(10-12)11-23-14-15(21(2)18(25)20-16(14)24)19-17(23)22-8-3-4-9-22/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,24,25)