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

Systemtic Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol Openeye Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol CAS Name: 2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenol IUPAC Name: 2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol Traditional Name: 2-[[6-[(4-nitrobenzyl)thio]purin-9-yl]methyl]phenol Formula: C19H15N5O3S MolecularWeight: 393.4191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N5O3S/c25-16-4-2-1-3-14(16)9-23-12-22-17-18(23)20-11-21-19(17)28-10-13-5-7-15(8-6-13)24(26)27/h1-8,11-12,25H,9-10H2