1-(2-dimethylaminoethyl)-3-[4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidin-5-yl]urea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidin-5-yl]urea Openeye Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(2-methylsulfanyl-5-nitro-phenyl)-2-phenyl-pyrimidin-5-yl]urea CAS Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-[2-(methylthio)-5-nitrophenyl]-2-phenyl-5-pyrimidinyl]urea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-(2-methylsulfanyl-5-nitrophenyl)-2-phenylpyrimidin-5-yl]urea Traditional Name: 1-(2-dimethylaminoethyl)-3-[4-methyl-6-[2-(methylthio)-5-nitro-phenyl]-2-phenyl-pyrimidin-5-yl]urea Formula: C23H26N6O3S MolecularWeight: 466.55594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1NC(=O)NCCN(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

Isomeric SMILES

CC1=NC(=NC(=C1NC(=O)NCCN(C)C)C2=C(C=CC(=C2)[N+](=O)[O-])SC)C3=CC=CC=C3

InChI

InChI=1S/C23H26N6O3S/c1-15-20(27-23(30)24-12-13-28(2)3)21(26-22(25-15)16-8-6-5-7-9-16)18-14-17(29(31)32)10-11-19(18)33-4/h5-11,14H,12-13H2,1-4H3,(H2,24,27,30)