1-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]butan-1-one CAS Name: 1-[4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 1-[4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]butan-1-one Formula: C19H25N5O MolecularWeight: 339.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=CC=C3)C

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=CC=C3)C

InChI

InChI=1S/C19H25N5O/c1-3-7-18(25)23-10-12-24(13-11-23)19-20-15(2)14-17(22-19)21-16-8-5-4-6-9-16/h4-6,8-9,14H,3,7,10-13H2,1-2H3,(H,20,21,22)