7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione

Systemtic Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 7-butyl-1,3-dimethyl-8-[(4-methyl-1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-butyl-1,3-dimethyl-8-[(4-methylpiperidino)methyl]xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)C

InChI

InChI=1S/C18H29N5O2/c1-5-6-9-23-14(12-22-10-7-13(2)8-11-22)19-16-15(23)17(24)21(4)18(25)20(16)3/h13H,5-12H2,1-4H3