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

Systemtic Name: 2-[3-[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]guanidine Openeye Name: 2-[3-[6-(benzylamino)-2-methylsulfonyl-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine CAS Name: 2-[3-[[2-methylsulfonyl-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-[6-(benzylamino)-2-methylsulfonyl-5-nitropyrimidin-4-yl]oxyphenyl]guanidine Traditional Name: 2-[3-[6-(benzylamino)-2-mesyl-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine Formula: C19H19N7O5S MolecularWeight: 457.46306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O5S/c1-32(29,30)19-24-16(22-11-12-6-3-2-4-7-12)15(26(27)28)17(25-19)31-14-9-5-8-13(10-14)23-18(20)21/h2-10H,11H2,1H3,(H4,20,21,23)(H,22,24,25)