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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-besyl-1,4-diazepane Formula: C24H28N4O2S MolecularWeight: 436.56972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O2S/c1-19-23(18-21-10-5-3-6-11-21)24(26-20(2)25-19)27-14-9-15-28(17-16-27)31(29,30)22-12-7-4-8-13-22/h3-8,10-13H,9,14-18H2,1-2H3