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

Systemtic Name: 1-[4-[2-azanyl-5-(4-ethylphenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2-amino-5-(4-ethylphenyl)sulfanyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2-amino-5-[(4-ethylphenyl)thio]-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-amino-5-(4-ethylphenyl)sulfanylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-amino-5-[(4-ethylphenyl)thio]pyrimidin-4-yl]piperazino]ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=CN=C(N=C2N3CCN(CC3)C(=O)C)N

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=CN=C(N=C2N3CCN(CC3)C(=O)C)N

InChI

InChI=1S/C18H23N5OS/c1-3-14-4-6-15(7-5-14)25-16-12-20-18(19)21-17(16)23-10-8-22(9-11-23)13(2)24/h4-7,12H,3,8-11H2,1-2H3,(H2,19,20,21)