N-methyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine

Systemtic Name: N-methyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine Openeye Name: N-methyl-7-(p-tolylsulfonyl)-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine CAS Name: N-methyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine IUPAC Name: N-methyl-7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine Traditional Name: methyl-(7-tosyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-yl)amine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CN=C(N=C3C4=CC=CC=C42)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CN=C(N=C3C4=CC=CC=C42)NC

InChI

InChI=1S/C20H20N4O2S/c1-14-7-9-16(10-8-14)27(25,26)24-12-11-15-13-22-20(21-2)23-19(15)17-5-3-4-6-18(17)24/h3-10,13H,11-12H2,1-2H3,(H,21,22,23)