[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-(2-nitrophenyl)ethanesulfonate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-(2-nitrophenyl)ethanesulfonate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 2-(2-nitrophenyl)ethanesulfonate CAS Name: 2-(2-nitrophenyl)ethanesulfonic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 2-(2-nitrophenyl)ethanesulfonate Traditional Name: 2-(2-nitrophenyl)ethanesulfonic acid (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl ester Formula: C18H20N6O7S MolecularWeight: 464.4524

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COS(=O)(=O)CCC4=CC=CC=C4[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COS(=O)(=O)CCC4=CC=CC=C4[N+](=O)[O-])O

InChI

InChI=1S/C18H20N6O7S/c19-17-16-18(21-9-20-17)23(10-22-16)15-7-13(25)14(31-15)8-30-32(28,29)6-5-11-3-1-2-4-12(11)24(26)27/h1-4,9-10,13-15,25H,5-8H2,(H2,19,20,21)