3-(6-chloranylpurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine

Systemtic Name: 3-(6-chloranylpurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine Openeye Name: 3-(6-chloropurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine CAS Name: 3-(6-chloro-7-purinyl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine IUPAC Name: 3-(6-chloropurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine Traditional Name: 3-(6-chloropurin-7-yl)-1-(2-nitrophenyl)sulfonyl-3,5-dihydro-2H-4,1-benzoxazepine Formula: C20H15ClN6O5S MolecularWeight: 486.8883

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])N4C=NC5=C4C(=NC=N5)Cl

InChI

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