2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-1-(4-phenylpiperazino)ethanone Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=C3)N

InChI

InChI=1S/C17H21N5OS/c1-13-11-15(18)20-17(19-13)24-12-16(23)22-9-7-21(8-10-22)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,19,20)