N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[2-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[2-(4-bromobenzyl)pyrazol-3-yl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C20H22BrN5OS MolecularWeight: 460.39058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=NN2CC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrN5OS/c1-13-17(14(2)24-20(23-13)28-3)8-9-19(27)25-18-10-11-22-26(18)12-15-4-6-16(21)7-5-15/h4-7,10-11H,8-9,12H2,1-3H3,(H,25,27)