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

Systemtic Name: 8-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C28H31N5O2S MolecularWeight: 501.64304

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O2S/c1-3-25-24(20-22-10-5-4-6-11-22)28(31-21(2)30-25)32-16-9-17-33(19-18-32)36(34,35)26-14-7-12-23-13-8-15-29-27(23)26/h4-8,10-15H,3,9,16-20H2,1-2H3