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

Systemtic Name: 9-[(3,4-dichlorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Openeye Name: 9-[(3,4-dichlorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine CAS Name: 9-[(3,4-dichlorophenyl)methyl]-6-[(4-nitrophenyl)methylthio]purine IUPAC Name: 9-[(3,4-dichlorophenyl)methyl]-6-[(4-nitrophenyl)methylsulfanyl]purine Traditional Name: 9-(3,4-dichlorobenzyl)-6-[(4-nitrobenzyl)thio]purine Formula: C19H13Cl2N5O2S MolecularWeight: 446.30982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3CC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2N=CN3CC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13Cl2N5O2S/c20-15-6-3-13(7-16(15)21)8-25-11-24-17-18(25)22-10-23-19(17)29-9-12-1-4-14(5-2-12)26(27)28/h1-7,10-11H,8-9H2