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

Systemtic Name: 1-[3-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]urea Openeye Name: [3-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyphenyl]urea CAS Name: [3-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]urea IUPAC Name: [3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyphenyl]urea Traditional Name: [3-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxyphenyl]urea Formula: C19H18N6O6S MolecularWeight: 458.44782

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC=CC(=C2)NC(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC=CC(=C2)NC(=O)N)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C19H18N6O6S/c1-32(29,30)19-23-16(21-11-12-6-3-2-4-7-12)15(25(27)28)17(24-19)31-14-9-5-8-13(10-14)22-18(20)26/h2-10H,11H2,1H3,(H3,20,22,26)(H,21,23,24)