8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione

Systemtic Name: 8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Openeye Name: 8-[(3S,5S)-3,5-dimethyl-1-piperidyl]-1,3-dimethyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-[(3S,5S)-3,5-dimethyl-1-piperidinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione IUPAC Name: 8-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione Traditional Name: 8-[(3S,5S)-3,5-dimethylpiperidino]-1,3-dimethyl-7-(2-methylallyl)xanthine Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)C2=NC3=C(N2CC(=C)C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H27N5O2/c1-11(2)8-23-14-15(20(5)18(25)21(6)16(14)24)19-17(23)22-9-12(3)7-13(4)10-22/h12-13H,1,7-10H2,2-6H3/t12-,13-/m0/s1