2-butylsulfanyl-9-[(4-methoxy-3-nitro-phenyl)methyl]purin-6-amine

Systemtic Name: 2-butylsulfanyl-9-[(4-methoxy-3-nitro-phenyl)methyl]purin-6-amine Openeye Name: 2-butylsulfanyl-9-[(4-methoxy-3-nitro-phenyl)methyl]purin-6-amine CAS Name: 2-(butylthio)-9-[(4-methoxy-3-nitrophenyl)methyl]-6-purinamine IUPAC Name: 2-butylsulfanyl-9-[(4-methoxy-3-nitrophenyl)methyl]purin-6-amine Traditional Name: [2-(butylthio)-9-(4-methoxy-3-nitro-benzyl)purin-6-yl]amine Formula: C17H20N6O3S MolecularWeight: 388.4441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=NC2=C(C(=N1)N)N=CN2CC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3S/c1-3-4-7-27-17-20-15(18)14-16(21-17)22(10-19-14)9-11-5-6-13(26-2)12(8-11)23(24)25/h5-6,8,10H,3-4,7,9H2,1-2H3,(H2,18,20,21)