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

Systemtic Name: 1-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropan-2-one Openeye Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylpropan-2-one CAS Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-2-propanone IUPAC Name: 1-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]acetone Formula: C15H16ClN3OS MolecularWeight: 321.82504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H16ClN3OS/c1-3-12-13(10-4-6-11(16)7-5-10)14(17)19-15(18-12)21-8-9(2)20/h4-7H,3,8H2,1-2H3,(H2,17,18,19)