8-[(3,5-dimethylpiperidin-1-yl)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[(3,5-dimethyl-1-piperidyl)methyl]-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[(3,5-dimethyl-1-piperidinyl)methyl]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[(3,5-dimethylpiperidino)methyl]-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C25H29N5O2 MolecularWeight: 431.53006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)CC2=NC3=C(N2CC4=CC=CC5=CC=CC=C54)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C25H29N5O2/c1-16-11-17(2)13-29(12-16)15-21-26-23-22(24(31)27-25(32)28(23)3)30(21)14-19-9-6-8-18-7-4-5-10-20(18)19/h4-10,16-17H,11-15H2,1-3H3,(H,27,31,32)