3-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol

Systemtic Name: 3-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol Openeye Name: 3-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol CAS Name: 3-[2-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenyl]phenol IUPAC Name: 3-[2-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenyl]phenol Traditional Name: 3-[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=C5)O

Isomeric SMILES

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

InChI

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