7-butyl-8-[[cyclohexyl(methyl)amino]methyl]-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-butyl-8-[[cyclohexyl(methyl)amino]methyl]-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-butyl-8-[[cyclohexyl(methyl)amino]methyl]purine-2,6-dione CAS Name: 7-butyl-8-[[cyclohexyl(methyl)amino]methyl]-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-butyl-8-[[cyclohexyl(methyl)amino]methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-butyl-8-[[cyclohexyl(methyl)amino]methyl]xanthine Formula: C24H33N5O2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)C4CCCCC4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)CN(C)C4CCCCC4

InChI

InChI=1S/C24H33N5O2/c1-3-4-15-28-20(17-27(2)19-13-9-6-10-14-19)25-22-21(28)23(30)26-24(31)29(22)16-18-11-7-5-8-12-18/h5,7-8,11-12,19H,3-4,6,9-10,13-17H2,1-2H3,(H,26,30,31)