3-(6-chloranylpurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine

Systemtic Name: 3-(6-chloranylpurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine Openeye Name: 3-(6-chloropurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine CAS Name: 3-(6-chloro-9-purinyl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine IUPAC Name: 3-(6-chloropurin-9-yl)-1-(4-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine Traditional Name: 3-(6-chloropurin-9-yl)-1-nosyl-3,5-dihydro-2H-4,1-benzoxazepine Formula: C20H15ClN6O5S MolecularWeight: 486.8883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4N=CN=C5Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=NC5=C4N=CN=C5Cl

InChI

InChI=1S/C20H15ClN6O5S/c21-19-18-20(23-11-22-19)25(12-24-18)17-9-26(16-4-2-1-3-13(16)10-32-17)33(30,31)15-7-5-14(6-8-15)27(28)29/h1-8,11-12,17H,9-10H2