1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethyl]amino]methyl]phenyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethyl]amino]methyl]phenyl]-7H-purine-2,6-dione Openeye Name: 1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethyl]amino]methyl]phenyl]-7H-purine-2,6-dione CAS Name: 1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]amino]methyl]phenyl]-7H-purine-2,6-dione IUPAC Name: 1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethyl]amino]methyl]phenyl]-7H-purine-2,6-dione Traditional Name: 1,3-bis(cyclohexylmethyl)-8-[4-[[[1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxy-ethyl]amino]methyl]phenyl]-7H-purine-2,6-quinone Formula: C45H73N5O12 MolecularWeight: 876.08742

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Descriptors Computed from Structure

Canonical SMILES:

COCC(NCC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3CC4CCCCC4)CC5CCCCC5)OCCOCCOCCOCCOCCOCCOCCOCCO

Isomeric SMILES

COCC(NCC1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3CC4CCCCC4)CC5CCCCC5)OCCOCCOCCOCCOCCOCCOCCOCCO

InChI

InChI=1S/C45H73N5O12/c1-54-35-40(62-31-30-61-29-28-60-27-26-59-25-24-58-23-22-57-21-20-56-19-18-55-17-16-51)46-32-36-12-14-39(15-13-36)42-47-41-43(48-42)49(33-37-8-4-2-5-9-37)45(53)50(44(41)52)34-38-10-6-3-7-11-38/h12-15,37-38,40,46,51H,2-11,16-35H2,1H3,(H,47,48)