3,7-dimethyl-1-[3-(4-methylpiperidin-1-yl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(4-methylpiperidin-1-yl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(4-methyl-1-piperidyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(4-methyl-1-piperidinyl)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(4-methylpiperidin-1-yl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(4-methylpiperidino)propyl]xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CC1CCN(CC1)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C16H25N5O2/c1-12-5-9-20(10-6-12)7-4-8-21-15(22)13-14(17-11-18(13)2)19(3)16(21)23/h11-12H,4-10H2,1-3H3