[(2S,5R)-5-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methanol

Systemtic Name: [(2S,5R)-5-[2-azanyl-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methanol Openeye Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]tetrahydrofuran-2-yl]methanol CAS Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylthio]-9-purinyl]-2-oxolanyl]methanol IUPAC Name: [(2S,5R)-5-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]oxolan-2-yl]methanol Traditional Name: [(2S,5R)-5-[2-amino-6-[(4-nitrobenzyl)thio]purin-9-yl]tetrahydrofuran-2-yl]methanol Formula: C17H18N6O4S MolecularWeight: 402.42762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1CO)N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3SCC4=CC=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C17H18N6O4S/c18-17-20-15-14(19-9-22(15)13-6-5-12(7-24)27-13)16(21-17)28-8-10-1-3-11(4-2-10)23(25)26/h1-4,9,12-13,24H,5-8H2,(H2,18,20,21)/t12-,13+/m0/s1