(2-ethylsulfanylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-ethylsulfanylphenyl)-[4-[6-(1-piperidyl)pyrimidin-4-yl]piperazin-1-yl]methanone CAS Name: [2-(ethylthio)phenyl]-[4-[6-(1-piperidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfanylphenyl)-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [2-(ethylthio)phenyl]-[4-(6-piperidinopyrimidin-4-yl)piperazino]methanone Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCCC4

InChI

InChI=1S/C22H29N5OS/c1-2-29-19-9-5-4-8-18(19)22(28)27-14-12-26(13-15-27)21-16-20(23-17-24-21)25-10-6-3-7-11-25/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3