3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,1-diphenyl-urea

Systemtic Name: 3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]-1,1-diphenyl-urea Openeye Name: 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,1-diphenyl-urea CAS Name: 3-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-1,1-diphenylurea IUPAC Name: 3-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]-1,1-diphenylurea Traditional Name: 3-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]-1,1-diphenyl-urea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NNC(=O)N(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N5O2S/c1-15-13-16(2)23-20(22-15)29-14-19(27)24-25-21(28)26(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13H,14H2,1-2H3,(H,24,27)(H,25,28)