2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylcyclohexan-1-one

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylcyclohexan-1-one Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylcyclohexanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-cyclohexanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylcyclohexan-1-one Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]cyclohexanone Formula: C18H20ClN3OS MolecularWeight: 361.8889

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SC2CCCCC2=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SC2CCCCC2=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H20ClN3OS/c1-2-13-16(11-7-9-12(19)10-8-11)17(20)22-18(21-13)24-15-6-4-3-5-14(15)23/h7-10,15H,2-6H2,1H3,(H2,20,21,22)