2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C23H24ClN5O2S MolecularWeight: 469.98696

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC(=O)C2=CNC(=C2)C(=O)N3CCCC3)N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN5O2S/c1-2-17-20(14-5-7-16(24)8-6-14)21(25)28-23(27-17)32-13-19(30)15-11-18(26-12-15)22(31)29-9-3-4-10-29/h5-8,11-12,26H,2-4,9-10,13H2,1H3,(H2,25,27,28)