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

Systemtic Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-4-tosyl-1,4-diazepane Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-4-25-24(19-22-9-6-5-7-10-22)26(28-21(3)27-25)29-15-8-16-30(18-17-29)33(31,32)23-13-11-20(2)12-14-23/h5-7,9-14H,4,8,15-19H2,1-3H3