8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(3,5-dimethyl-1-piperidyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-piperidinyl)-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(3,5-dimethylpiperidino)-1,3-dimethyl-xanthine Formula: C21H27N5O2 MolecularWeight: 381.47138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC4=CC=CC=C4)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C21H27N5O2/c1-14-10-15(2)12-25(11-14)20-22-18-17(19(27)24(4)21(28)23(18)3)26(20)13-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3