8-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline

Systemtic Name: 8-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C29H33N5O2S MolecularWeight: 515.66962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)C

InChI

InChI=1S/C29H33N5O2S/c1-4-26-25(20-23-13-11-21(2)12-14-23)29(32-22(3)31-26)33-16-7-17-34(19-18-33)37(35,36)27-10-5-8-24-9-6-15-30-28(24)27/h5-6,8-15H,4,7,16-20H2,1-3H3