2-methylsulfonyl-5-nitro-6-(3-nitrophenoxy)-N-(phenylmethyl)pyrimidin-4-amine

Systemtic Name: 2-methylsulfonyl-5-nitro-6-(3-nitrophenoxy)-N-(phenylmethyl)pyrimidin-4-amine Openeye Name: N-benzyl-2-methylsulfonyl-5-nitro-6-(3-nitrophenoxy)pyrimidin-4-amine CAS Name: 2-methylsulfonyl-5-nitro-6-(3-nitrophenoxy)-N-(phenylmethyl)-4-pyrimidinamine IUPAC Name: N-benzyl-2-methylsulfonyl-5-nitro-6-(3-nitrophenoxy)pyrimidin-4-amine Traditional Name: benzyl-[2-mesyl-5-nitro-6-(3-nitrophenoxy)pyrimidin-4-yl]amine Formula: C18H15N5O7S MolecularWeight: 445.406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N5O7S/c1-31(28,29)18-20-16(19-11-12-6-3-2-4-7-12)15(23(26)27)17(21-18)30-14-9-5-8-13(10-14)22(24)25/h2-10H,11H2,1H3,(H,19,20,21)