2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-(1H-pyrrol-2-yl)ethanone Formula: C18H17ClN4OS MolecularWeight: 372.87178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=CN2)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CC=CN2)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4OS/c1-2-13-16(11-5-7-12(19)8-6-11)17(20)23-18(22-13)25-10-15(24)14-4-3-9-21-14/h3-9,21H,2,10H2,1H3,(H2,20,22,23)