2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Openeye Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 2-(3-methylphenoxy)-1-[4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(3-methylphenoxy)-1-[4-(6-pyrrolidinopyrimidin-4-yl)piperazino]ethanone Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H27N5O2/c1-17-5-4-6-18(13-17)28-15-21(27)26-11-9-25(10-12-26)20-14-19(22-16-23-20)24-7-2-3-8-24/h4-6,13-14,16H,2-3,7-12,15H2,1H3