4-[2-azanyl-5-(4-ethylphenyl)sulfanyl-pyrimidin-4-yl]cyclohexan-1-one

Systemtic Name: 4-[2-azanyl-5-(4-ethylphenyl)sulfanyl-pyrimidin-4-yl]cyclohexan-1-one Openeye Name: 4-[2-amino-5-(4-ethylphenyl)sulfanyl-pyrimidin-4-yl]cyclohexanone CAS Name: 4-[2-amino-5-[(4-ethylphenyl)thio]-4-pyrimidinyl]-1-cyclohexanone IUPAC Name: 4-[2-amino-5-(4-ethylphenyl)sulfanylpyrimidin-4-yl]cyclohexan-1-one Traditional Name: 4-[2-amino-5-[(4-ethylphenyl)thio]pyrimidin-4-yl]cyclohexanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=CN=C(N=C2C3CCC(=O)CC3)N

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=CN=C(N=C2C3CCC(=O)CC3)N

InChI

InChI=1S/C18H21N3OS/c1-2-12-3-9-15(10-4-12)23-16-11-20-18(19)21-17(16)13-5-7-14(22)8-6-13/h3-4,9-11,13H,2,5-8H2,1H3,(H2,19,20,21)