2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]aniline

Systemtic Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]aniline Openeye Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]aniline CAS Name: 2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]aniline IUPAC Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]aniline Traditional Name: [2-[[6-[(4-nitrobenzyl)thio]purin-9-yl]methyl]phenyl]amine Formula: C19H16N6O2S MolecularWeight: 392.43434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C19H16N6O2S/c20-16-4-2-1-3-14(16)9-24-12-23-17-18(24)21-11-22-19(17)28-10-13-5-7-15(8-6-13)25(26)27/h1-8,11-12H,9-10,20H2