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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-naphthalen-1-ylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(1-naphthylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(1-naphthalenylsulfonyl)-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-naphthalen-1-ylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(1-naphthylsulfonyl)-1,4-diazepane Formula: C29H32N4O2S MolecularWeight: 500.65498

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

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2S/c1-3-27-26(21-23-11-5-4-6-12-23)29(31-22(2)30-27)32-17-10-18-33(20-19-32)36(34,35)28-16-9-14-24-13-7-8-15-25(24)28/h4-9,11-16H,3,10,17-21H2,1-2H3