6-(3-azanyl-5-nitro-phenoxy)-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 6-(3-azanyl-5-nitro-phenoxy)-2-methylsulfanyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: 6-(3-amino-5-nitro-phenoxy)-N-benzyl-2-methylsulfanyl-5-nitro-pyrimidin-4-amine CAS Name: 6-(3-amino-5-nitrophenoxy)-2-(methylthio)-5-nitro-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: 6-(3-amino-5-nitrophenoxy)-N-benzyl-2-methylsulfanyl-5-nitropyrimidin-4-amine Traditional Name: [6-(3-amino-5-nitro-phenoxy)-2-(methylthio)-5-nitro-pyrimidin-4-yl]-benzyl-amine Formula: C18H16N6O5S MolecularWeight: 428.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O5S/c1-30-18-21-16(20-10-11-5-3-2-4-6-11)15(24(27)28)17(22-18)29-14-8-12(19)7-13(9-14)23(25)26/h2-9H,10,19H2,1H3,(H,20,21,22)