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

Systemtic Name: 2-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol Openeye Name: 2-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol CAS Name: 2-[2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenyl]phenol IUPAC Name: 2-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol Traditional Name: 2-[2-[[6-[(4-nitrobenzyl)thio]purin-9-yl]methyl]phenyl]phenol Formula: C25H19N5O3S MolecularWeight: 469.51506

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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-])C5=CC=CC=C5O

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5O

InChI

InChI=1S/C25H19N5O3S/c31-22-8-4-3-7-21(22)20-6-2-1-5-18(20)13-29-16-28-23-24(29)26-15-27-25(23)34-14-17-9-11-19(12-10-17)30(32)33/h1-12,15-16,31H,13-14H2