6-(2,6-dimethylmorpholin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(2,6-dimethylmorpholin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(2,6-dimethylmorpholin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(2,6-dimethyl-4-morpholinyl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(2,6-dimethylmorpholin-4-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: [6-(2,6-dimethylmorpholino)-5-nitro-pyrimidin-4-yl]-(4-mesylbenzyl)amine Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5S/c1-12-9-22(10-13(2)28-12)18-16(23(24)25)17(20-11-21-18)19-8-14-4-6-15(7-5-14)29(3,26)27/h4-7,11-13H,8-10H2,1-3H3,(H,19,20,21)