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

Systemtic Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylamino]-3-(4-nitrophenyl)urea Openeye Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]-3-(4-nitrophenyl)urea CAS Name: 1-[[[4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]amino]-3-(4-nitrophenyl)urea IUPAC Name: 1-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]amino]-3-(4-nitrophenyl)urea Traditional Name: 1-[[4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]amino]-3-(4-nitrophenyl)urea Formula: C21H20N6O4S MolecularWeight: 452.4863

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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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N6O4S/c1-13-11-14(2)23-21(22-13)32-12-15-3-5-16(6-4-15)19(28)25-26-20(29)24-17-7-9-18(10-8-17)27(30)31/h3-11H,12H2,1-2H3,(H,25,28)(H2,24,26,29)