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

Systemtic Name: 8-[[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]sulfonyl]quinoline Openeye Name: 8-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline CAS Name: 8-[[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1,4-diazepan-1-yl]sulfonyl]quinoline IUPAC Name: 8-[[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Traditional Name: 8-[[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]sulfonyl]quinoline Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2S/c1-20-24(19-22-9-4-3-5-10-22)27(30-21(2)29-20)31-15-8-16-32(18-17-31)35(33,34)25-13-6-11-23-12-7-14-28-26(23)25/h3-7,9-14H,8,15-19H2,1-2H3