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

Systemtic Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-(phenylmethyl)sulfonyl-1,4-diazepane Openeye Name: 1-benzylsulfonyl-4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepane CAS Name: 1-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-4-(phenylmethyl)sulfonyl-1,4-diazepane IUPAC Name: 1-benzylsulfonyl-4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepane Traditional Name: 1-benzylsulfonyl-4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepane Formula: C27H34N4O2S MolecularWeight: 478.64946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H34N4O2S/c1-4-26-25(19-23-13-11-21(2)12-14-23)27(29-22(3)28-26)30-15-8-16-31(18-17-30)34(32,33)20-24-9-6-5-7-10-24/h5-7,9-14H,4,8,15-20H2,1-3H3