6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-4-ylmethyl)purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-4-ylmethyl)purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(4-pyridylmethyl)purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-(pyridin-4-ylmethyl)purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(pyridin-4-ylmethyl)purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-(4-pyridylmethyl)purine Formula: C18H14N6O2S MolecularWeight: 378.40776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N6O2S/c25-24(26)15-3-1-14(2-4-15)10-27-18-16-17(20-11-21-18)23(12-22-16)9-13-5-7-19-8-6-13/h1-8,11-12H,9-10H2