[5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-oxidanyl-oxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate Openeye Name: [5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate CAS Name: carbonic acid [5-(6-aminopurin-9-yl)-3-hydroxy-2-oxolanyl]methyl 2-(4-nitrophenyl)ethyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl 2-(4-nitrophenyl)ethyl carbonate Traditional Name: carbonic acid (5-adenin-9-yl-3-hydroxy-tetrahydrofuran-2-yl)methyl 2-(4-nitrophenyl)ethyl ester Formula: C19H20N6O7 MolecularWeight: 444.3981

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)OCCC4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C(C(OC1N2C=NC3=C2N=CN=C3N)COC(=O)OCCC4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C19H20N6O7/c20-17-16-18(22-9-21-17)24(10-23-16)15-7-13(26)14(32-15)8-31-19(27)30-6-5-11-1-3-12(4-2-11)25(28)29/h1-4,9-10,13-15,26H,5-8H2,(H2,20,21,22)