1-[4-[2-azanyl-5-(4-chloranyl-2-methyl-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-azanyl-5-(4-chloranyl-2-methyl-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-(4-chloro-2-methyl-phenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[(4-chloro-2-methylphenyl)thio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-(4-chloro-2-methylphenyl)sulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-[(4-chloro-2-methyl-phenyl)thio]pyrimidin-4-yl]piperazino]ethanone Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5OS/c1-11-9-13(18)3-4-14(11)25-15-10-20-17(19)21-16(15)23-7-5-22(6-8-23)12(2)24/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21)