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

Systemtic Name: 3-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol Openeye Name: 3-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol CAS Name: 3-[[6-[(4-nitrophenyl)methylthio]-9-purinyl]methyl]phenol IUPAC Name: 3-[[6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]methyl]phenol Traditional Name: 3-[[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(=CC(=C1)O)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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