9-chloranyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-amine

Systemtic Name: 9-chloranyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-amine Openeye Name: 9-chloro-7-(p-tolylsulfonyl)-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-amine CAS Name: 9-chloro-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-amine IUPAC Name: 9-chloro-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-amine Traditional Name: (9-chloro-7-tosyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-4-yl)amine Formula: C19H17ClN4O2S MolecularWeight: 400.88188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=C2C=C(C=C4)Cl)N=CN=C3N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=C2C=C(C=C4)Cl)N=CN=C3N

InChI

InChI=1S/C19H17ClN4O2S/c1-12-2-5-14(6-3-12)27(25,26)24-9-8-16-18(22-11-23-19(16)21)15-7-4-13(20)10-17(15)24/h2-7,10-11H,8-9H2,1H3,(H2,21,22,23)