8-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)-3,6-dihydropurine

Systemtic Name: 8-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)-3,6-dihydropurine Openeye Name: 9-benzyl-8-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]-3,6-dihydropurine CAS Name: 8-cyclopentyl-6-[(4-nitrophenyl)methylthio]-9-(phenylmethyl)-3,6-dihydropurine IUPAC Name: 9-benzyl-8-cyclopentyl-6-[(4-nitrophenyl)methylsulfanyl]-3,6-dihydropurine Traditional Name: 9-benzyl-8-cyclopentyl-6-[(4-nitrobenzyl)thio]-3,6-dihydropurine Formula: C24H25N5O2S MolecularWeight: 447.5526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)C2=NC3=C(N2CC4=CC=CC=C4)NC=NC3SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H25N5O2S/c30-29(31)20-12-10-18(11-13-20)15-32-24-21-23(25-16-26-24)28(14-17-6-2-1-3-7-17)22(27-21)19-8-4-5-9-19/h1-3,6-7,10-13,16,19,24H,4-5,8-9,14-15H2,(H,25,26)