2-[[3-(6-chloranylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline

Systemtic Name: 2-[[3-(6-chloranylpurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline Openeye Name: 2-[[3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline CAS Name: 2-[[3-(6-chloro-7-purinyl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline IUPAC Name: 2-[[3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]aniline Traditional Name: [2-[[3-(6-chloropurin-7-yl)-3,5-dihydro-2H-4,1-benzoxazepin-1-yl]sulfonyl]phenyl]amine Formula: C20H17ClN6O3S MolecularWeight: 456.90538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3N)N4C=NC5=C4C(=NC=N5)Cl

Isomeric SMILES

C1C(OCC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3N)N4C=NC5=C4C(=NC=N5)Cl

InChI

InChI=1S/C20H17ClN6O3S/c21-19-18-20(24-11-23-19)25-12-26(18)17-9-27(15-7-3-1-5-13(15)10-30-17)31(28,29)16-8-4-2-6-14(16)22/h1-8,11-12,17H,9-10,22H2