9-[(3,5-dimethoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine

Systemtic Name: 9-[(3,5-dimethoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[(3,5-dimethoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[(3,5-dimethoxyphenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[(3,5-dimethoxyphenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-(3,5-dimethoxybenzyl)-6-[(4-nitrobenzyl)thio]purine Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19N5O4S/c1-29-17-7-15(8-18(9-17)30-2)10-25-13-24-19-20(25)22-12-23-21(19)31-11-14-3-5-16(6-4-14)26(27)28/h3-9,12-13H,10-11H2,1-2H3