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

Systemtic Name: (2-methylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone CAS Name: [2-(methylthio)phenyl]-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]methanone Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C20H25N5OS/c1-27-17-7-3-2-6-16(17)20(26)25-12-10-24(11-13-25)19-14-18(21-15-22-19)23-8-4-5-9-23/h2-3,6-7,14-15H,4-5,8-13H2,1H3