1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea

Systemtic Name: 1-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Openeye Name: 1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea CAS Name: 1-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-[2-[3-(1-methylethenyl)phenyl]propan-2-yl]urea IUPAC Name: 1-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea Traditional Name: 1-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NNC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NNC(=O)NC(C)(C)C2=CC=CC(=C2)C(=C)C)C

InChI

InChI=1S/C21H27N5O2S/c1-13(2)16-8-7-9-17(11-16)21(5,6)24-19(28)26-25-18(27)12-29-20-22-14(3)10-15(4)23-20/h7-11H,1,12H2,2-6H3,(H,25,27)(H2,24,26,28)