6-chloranyl-2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purine

Systemtic Name: 6-chloranyl-2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylsulfanyl)purine Openeye Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-(diethoxymethyl)purine CAS Name: 6-chloro-2-(diethoxymethyl)-9-(phenylmethyl)-8-(phenylmethylthio)purine IUPAC Name: 9-benzyl-8-benzylsulfanyl-6-chloro-2-(diethoxymethyl)purine Traditional Name: 9-benzyl-8-(benzylthio)-6-chloro-2-(diethoxymethyl)purine Formula: C24H25ClN4O2S MolecularWeight: 468.9989

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=NC2=C(C(=N1)Cl)N=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC(C1=NC2=C(C(=N1)Cl)N=C(N2CC3=CC=CC=C3)SCC4=CC=CC=C4)OCC

InChI

InChI=1S/C24H25ClN4O2S/c1-3-30-23(31-4-2)21-27-20(25)19-22(28-21)29(15-17-11-7-5-8-12-17)24(26-19)32-16-18-13-9-6-10-14-18/h5-14,23H,3-4,15-16H2,1-2H3