2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-(4-azanyl-6-methyl-pyrimidin-2-yl)sulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-(4-amino-6-methyl-pyrimidin-2-yl)sulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[(4-amino-6-methyl-2-pyrimidinyl)thio]-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[3-cyano-1-[(4-fluorophenyl)methyl]-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(4-amino-6-methyl-pyrimidin-2-yl)thio]-N-[3-cyano-1-(4-fluorobenzyl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C21H21FN6OS MolecularWeight: 424.494443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(N2CC3=CC=C(C=C3)F)C)C)C#N)N

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=C(N2CC3=CC=C(C=C3)F)C)C)C#N)N

InChI

InChI=1S/C21H21FN6OS/c1-12-8-18(24)26-21(25-12)30-11-19(29)27-20-17(9-23)13(2)14(3)28(20)10-15-4-6-16(22)7-5-15/h4-8H,10-11H2,1-3H3,(H,27,29)(H2,24,25,26)