6-(4-methylpiperazin-1-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-N-[(4-methylsulfonylphenyl)methyl]-5-nitropyrimidin-4-amine Traditional Name: (4-mesylbenzyl)-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N6O4S MolecularWeight: 406.45938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O4S/c1-21-7-9-22(10-8-21)17-15(23(24)25)16(19-12-20-17)18-11-13-3-5-14(6-4-13)28(2,26)27/h3-6,12H,7-11H2,1-2H3,(H,18,19,20)