1-(4-methylphenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-1,4-diazepane Openeye Name: 1-(2-isopropyl-6-methyl-pyrimidin-4-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(2-isopropyl-6-methyl-pyrimidin-4-yl)-4-tosyl-1,4-diazepane Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NC(=NC(=C3)C)C(C)C

InChI

InChI=1S/C20H28N4O2S/c1-15(2)20-21-17(4)14-19(22-20)23-10-5-11-24(13-12-23)27(25,26)18-8-6-16(3)7-9-18/h6-9,14-15H,5,10-13H2,1-4H3