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

Systemtic Name: (2-ethylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-ethylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [2-(ethylthio)phenyl]-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-ethylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [2-(ethylthio)phenyl]-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C21H27N5OS MolecularWeight: 397.53698

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H27N5OS/c1-2-28-18-8-4-3-7-17(18)21(27)26-13-11-25(12-14-26)20-15-19(22-16-23-20)24-9-5-6-10-24/h3-4,7-8,15-16H,2,5-6,9-14H2,1H3