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

Systemtic Name: 1-[3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]urea Openeye Name: [3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyphenyl]urea CAS Name: [3-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: [3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyphenyl]urea Traditional Name: [3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyphenyl]urea Formula: C19H18N6O4S MolecularWeight: 426.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)OC2=CC=CC(=C2)NC(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC=CC(=C2)NC(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H18N6O4S/c1-30-19-23-16(21-11-12-6-3-2-4-7-12)15(25(27)28)17(24-19)29-14-9-5-8-13(10-14)22-18(20)26/h2-10H,11H2,1H3,(H3,20,22,26)(H,21,23,24)