1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane

Systemtic Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane Openeye Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane CAS Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-4-ethylsulfonyl-1,4-diazepane IUPAC Name: 1-[5-[(4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane Traditional Name: 1-[5-(4-chlorobenzyl)-2,6-dimethyl-pyrimidin-4-yl]-4-esyl-1,4-diazepane Formula: C20H27ClN4O2S MolecularWeight: 422.97198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

Isomeric SMILES

CCS(=O)(=O)N1CCCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)Cl)C)C

InChI

InChI=1S/C20H27ClN4O2S/c1-4-28(26,27)25-11-5-10-24(12-13-25)20-19(15(2)22-16(3)23-20)14-17-6-8-18(21)9-7-17/h6-9H,4-5,10-14H2,1-3H3