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

Systemtic Name: 1-[3-methyl-5-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-phenyl]urea Openeye Name: [3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]urea CAS Name: [3-methyl-5-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: [3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-methylphenyl]urea Traditional Name: [3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]urea Formula: C20H20N6O4S MolecularWeight: 440.4756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)SC)NC(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NCC3=CC=CC=C3)SC)NC(=O)N

InChI

InChI=1S/C20H20N6O4S/c1-12-8-14(23-19(21)27)10-15(9-12)30-18-16(26(28)29)17(24-20(25-18)31-2)22-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H3,21,23,27)(H,22,24,25)