3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-[[(4-methylcyclohexyl)amino]methyl]-7-propyl-xanthine Formula: C20H33N5O2 MolecularWeight: 375.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3CCC(CC3)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3CCC(CC3)C)CCC

InChI

InChI=1S/C20H33N5O2/c1-4-6-12-25-18-17(19(26)23-20(25)27)24(11-5-2)16(22-18)13-21-15-9-7-14(3)8-10-15/h14-15,21H,4-13H2,1-3H3,(H,23,26,27)