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

Systemtic Name: 1-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-besyl-4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]-1,4-diazepane Formula: C25H29FN4O2S MolecularWeight: 468.586763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O2S/c1-3-24-23(18-20-9-7-10-21(26)17-20)25(28-19(2)27-24)29-13-8-14-30(16-15-29)33(31,32)22-11-5-4-6-12-22/h4-7,9-12,17H,3,8,13-16,18H2,1-2H3