2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C24H26ClN5OS MolecularWeight: 468.01414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN5OS/c1-2-20-22(17-8-10-18(25)11-9-17)23(26)28-24(27-20)32-16-21(31)30-14-12-29(13-15-30)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H2,26,27,28)