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

Systemtic Name: 1-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C28H30N4O2S MolecularWeight: 486.6284

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=CC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-21-26(20-23-10-4-3-5-11-23)28(30-22(2)29-21)31-16-9-17-32(19-18-31)35(33,34)27-15-8-13-24-12-6-7-14-25(24)27/h3-8,10-15H,9,16-20H2,1-2H3