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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-ethylsulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-ethylsulfonyl-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-ethylsulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-ethylsulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-esyl-1,4-diazepane Formula: C21H30N4O2S MolecularWeight: 402.5535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC)CC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-4-20-19(16-18-10-7-6-8-11-18)21(23-17(3)22-20)24-12-9-13-25(15-14-24)28(26,27)5-2/h6-8,10-11H,4-5,9,12-16H2,1-3H3