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

Systemtic Name: 2-[3-[2-methylsulfanyl-5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxyphenyl]guanidine Openeye Name: 2-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine CAS Name: 2-[3-[[2-(methylthio)-5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]phenyl]guanidine IUPAC Name: 2-[3-[6-(benzylamino)-2-methylsulfanyl-5-nitropyrimidin-4-yl]oxyphenyl]guanidine Traditional Name: 2-[3-[6-(benzylamino)-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxyphenyl]guanidine Formula: C19H19N7O3S MolecularWeight: 425.46426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O3S/c1-30-19-24-16(22-11-12-6-3-2-4-7-12)15(26(27)28)17(25-19)29-14-9-5-8-13(10-14)23-18(20)21/h2-10H,11H2,1H3,(H4,20,21,23)(H,22,24,25)