3,7-dimethyl-1-(10-oxidanyl-11-phenylazanyl-undecyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(10-oxidanyl-11-phenylazanyl-undecyl)purine-2,6-dione Openeye Name: 1-(11-anilino-10-hydroxy-undecyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(11-anilino-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(11-anilino-10-hydroxyundecyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(11-anilino-10-hydroxy-undecyl)-3,7-dimethyl-xanthine Formula: C24H35N5O3 MolecularWeight: 441.5664

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNC3=CC=CC=C3)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCC(CNC3=CC=CC=C3)O

InChI

InChI=1S/C24H35N5O3/c1-27-18-26-22-21(27)23(31)29(24(32)28(22)2)16-12-7-5-3-4-6-11-15-20(30)17-25-19-13-9-8-10-14-19/h8-10,13-14,18,20,25,30H,3-7,11-12,15-17H2,1-2H3