1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(4-fluorophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(4-fluorophenyl)sulfonyl-1,4-diazepane Formula: C24H27FN4O2S MolecularWeight: 454.560183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O2S/c1-18-23(17-20-7-4-3-5-8-20)24(27-19(2)26-18)28-13-6-14-29(16-15-28)32(30,31)22-11-9-21(25)10-12-22/h3-5,7-12H,6,13-17H2,1-2H3