2-(4-nitrophenyl)ethyl N-[9-(4-oxidanylbutyl)purin-6-yl]carbamate

Systemtic Name: 2-(4-nitrophenyl)ethyl N-[9-(4-oxidanylbutyl)purin-6-yl]carbamate Openeye Name: 2-(4-nitrophenyl)ethyl N-[9-(4-hydroxybutyl)purin-6-yl]carbamate CAS Name: N-[9-(4-hydroxybutyl)-6-purinyl]carbamic acid 2-(4-nitrophenyl)ethyl ester IUPAC Name: 2-(4-nitrophenyl)ethyl N-[9-(4-hydroxybutyl)purin-6-yl]carbamate Traditional Name: N-[9-(4-hydroxybutyl)purin-6-yl]carbamic acid 2-(4-nitrophenyl)ethyl ester Formula: C18H20N6O5 MolecularWeight: 400.3886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC(=O)NC2=NC=NC3=C2N=CN3CCCCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CCOC(=O)NC2=NC=NC3=C2N=CN3CCCCO)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5/c25-9-2-1-8-23-12-21-15-16(19-11-20-17(15)23)22-18(26)29-10-7-13-3-5-14(6-4-13)24(27)28/h3-6,11-12,25H,1-2,7-10H2,(H,19,20,22,26)