8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-8-[(2-ethyl-1-piperidyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(2-ethyl-1-piperidinyl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-[(2-ethylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-8-[(2-ethylpiperidino)methyl]-1,3-dimethyl-xanthine Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCC1CCCCN1CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C18H27N5O3/c1-5-13-8-6-7-9-22(13)11-14-19-16-15(23(14)10-12(2)24)17(25)21(4)18(26)20(16)3/h13H,5-11H2,1-4H3