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

Systemtic Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(phenylsulfonyl)-1,4-diazepane Openeye Name: 1-(benzenesulfonyl)-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-(benzenesulfonyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepane IUPAC Name: 1-(benzenesulfonyl)-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-besyl-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-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=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

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