1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]-3-phenyl-urea

Systemtic Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]-3-phenyl-urea Openeye Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]-3-phenyl-urea CAS Name: 1-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]amino]-3-phenylurea IUPAC Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]-3-phenylurea Traditional Name: 1-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]-3-phenyl-urea Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=CC=C3)C

InChI

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