1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethyl-purine-2,6-dione

Systemtic Name: 1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethyl-purine-2,6-dione Openeye Name: 1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethyl-purine-2,6-dione CAS Name: 1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethylpurine-2,6-dione IUPAC Name: 1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethylpurine-2,6-dione Traditional Name: 1-[2,3-bis(cyclohexylamino)propyl]-3,7-diethyl-xanthine Formula: C24H40N6O2 MolecularWeight: 444.6134

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC(CNC3CCCCC3)NC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CC(CNC3CCCCC3)NC4CCCCC4

InChI

InChI=1S/C24H40N6O2/c1-3-28-17-26-22-21(28)23(31)30(24(32)29(22)4-2)16-20(27-19-13-9-6-10-14-19)15-25-18-11-7-5-8-12-18/h17-20,25,27H,3-16H2,1-2H3