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

Systemtic Name: 2-[3-methyl-5-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-phenyl]guanidine Openeye Name: 2-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]guanidine CAS Name: 2-[3-methyl-5-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxy-5-methylphenyl]guanidine Traditional Name: 2-[3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-5-methyl-phenyl]guanidine Formula: C20H21N7O3S MolecularWeight: 439.49084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3S/c1-12-8-14(24-19(21)22)10-15(9-12)30-18-16(27(28)29)17(25-20(26-18)31-2)23-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H4,21,22,24)(H,23,25,26)