1-[4-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[4-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzoyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzoyl]piperazino]ethanone Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2S/c1-19(32)30-13-15-31(16-14-30)25(33)22-11-9-20(10-12-22)18-34-26-27-23(17-24(28-26)29(2)3)21-7-5-4-6-8-21/h4-12,17H,13-16,18H2,1-3H3