6-[(2-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-[(2-nitrophenyl)methylsulfanyl]-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine CAS Name: 6-[(2-nitrophenyl)methylthio]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-[(2-nitrophenyl)methylsulfanyl]purin-2-amine Traditional Name: [9-benzyl-6-[(2-nitrobenzyl)thio]purin-2-yl]amine Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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