2-[6-azanyl-1-(2,3-dimethylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[6-azanyl-1-(2,3-dimethylphenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[6-amino-1-(2,3-dimethylphenyl)-4-oxo-pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[6-amino-1-(2,3-dimethylphenyl)-4-oxo-2-pyrimidinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[6-amino-1-(2,3-dimethylphenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[6-amino-1-(2,3-dimethylphenyl)-4-keto-pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C20H19FN4O2S MolecularWeight: 398.453863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=O)N=C2SCC(=O)NC3=CC=C(C=C3)F)N)C

InChI

InChI=1S/C20H19FN4O2S/c1-12-4-3-5-16(13(12)2)25-17(22)10-18(26)24-20(25)28-11-19(27)23-15-8-6-14(21)7-9-15/h3-10H,11,22H2,1-2H3,(H,23,27)