6-[(4-nitrophenyl)methylsulfanyl]-9-(oxan-2-yl)purine

Systemtic Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(oxan-2-yl)purine Openeye Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-tetrahydropyran-2-yl-purine CAS Name: 6-[(4-nitrophenyl)methylthio]-9-(2-oxanyl)purine IUPAC Name: 6-[(4-nitrophenyl)methylsulfanyl]-9-(oxan-2-yl)purine Traditional Name: 6-[(4-nitrobenzyl)thio]-9-tetrahydropyran-2-yl-purine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c23-22(24)13-6-4-12(5-7-13)9-26-17-15-16(18-10-19-17)21(11-20-15)14-3-1-2-8-25-14/h4-7,10-11,14H,1-3,8-9H2