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

Systemtic Name: 3-butyl-8-[(3-methylpiperidin-1-yl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(3-methyl-1-piperidyl)methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[(3-methyl-1-piperidinyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(3-methylpiperidin-1-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[(3-methylpiperidino)methyl]-7-propyl-xanthine Formula: C19H31N5O2 MolecularWeight: 361.48174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC(C3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC(C3)C)CCC

InChI

InChI=1S/C19H31N5O2/c1-4-6-11-24-17-16(18(25)21-19(24)26)23(9-5-2)15(20-17)13-22-10-7-8-14(3)12-22/h14H,4-13H2,1-3H3,(H,21,25,26)