1-butylsulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane

Systemtic Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Openeye Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-butylsulfonyl-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C24H36N4O2S MolecularWeight: 444.63324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)CC)C

Isomeric SMILES

CCCCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)C)CC)C

InChI

InChI=1S/C24H36N4O2S/c1-5-7-17-31(29,30)28-14-8-13-27(15-16-28)24-22(23(6-2)25-20(4)26-24)18-21-11-9-19(3)10-12-21/h9-12H,5-8,13-18H2,1-4H3