1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepane Formula: C26H31FN4O2S MolecularWeight: 482.613343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C26H31FN4O2S/c1-3-25-24(18-22-11-7-12-23(27)17-22)26(29-20(2)28-25)30-13-8-14-31(16-15-30)34(32,33)19-21-9-5-4-6-10-21/h4-7,9-12,17H,3,8,13-16,18-19H2,1-2H3