8-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]sulfonylquinoline Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-3-24-23(19-21-9-5-4-6-10-21)27(30-20(2)29-24)31-15-17-32(18-16-31)35(33,34)25-13-7-11-22-12-8-14-28-26(22)25/h4-14H,3,15-19H2,1-2H3