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

Systemtic Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-1,3-dimethyl-8-[(2-methylpiperidino)methyl]xanthine Formula: C17H25N5O3 MolecularWeight: 347.4121

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCCN1CC2=NC3=C(N2CC(=O)C)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H25N5O3/c1-11-7-5-6-8-21(11)10-13-18-15-14(22(13)9-12(2)23)16(24)20(4)17(25)19(15)3/h11H,5-10H2,1-4H3