2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C19H20FN5OS MolecularWeight: 385.458403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=CC(=N3)N)N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NC(=CC(=N3)N)N)C)F

InChI

InChI=1S/C19H20FN5OS/c1-10-4-5-13(7-15(10)20)25-11(2)6-14(12(25)3)16(26)9-27-19-23-17(21)8-18(22)24-19/h4-8H,9H2,1-3H3,(H4,21,22,23,24)