1-[4-[2-azanyl-5-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-azanyl-5-(4-methylphenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-(p-tolylsulfanyl)pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[(4-methylphenyl)thio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-(4-methylphenyl)sulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-(p-tolylthio)pyrimidin-4-yl]piperazino]ethanone Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2N3CCN(CC3)C(=O)C)N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2N3CCN(CC3)C(=O)C)N

InChI

InChI=1S/C17H21N5OS/c1-12-3-5-14(6-4-12)24-15-11-19-17(18)20-16(15)22-9-7-21(8-10-22)13(2)23/h3-6,11H,7-10H2,1-2H3,(H2,18,19,20)