8-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline

Systemtic Name: 8-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Openeye Name: 8-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline CAS Name: 8-[[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethyl-4-pyrimidinyl]-1-piperazinyl]sulfonyl]quinoline IUPAC Name: 8-[4-[5-[(4-methoxyphenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline Traditional Name: 8-[4-(2,6-dimethyl-5-p-anisyl-pyrimidin-4-yl)piperazino]sulfonylquinoline Formula: C27H29N5O3S MolecularWeight: 503.61586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C27H29N5O3S/c1-19-24(18-21-9-11-23(35-3)12-10-21)27(30-20(2)29-19)31-14-16-32(17-15-31)36(33,34)25-8-4-6-22-7-5-13-28-26(22)25/h4-13H,14-18H2,1-3H3