N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide

Systemtic Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidin-4-yl]methanesulfonamide Openeye Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]methanesulfonamide CAS Name: N-[1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-4-piperidinyl]methanesulfonamide IUPAC Name: N-[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]methanesulfonamide Traditional Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]methanesulfonamide Formula: C13H20N6O4S MolecularWeight: 356.4007

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1CCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1CCN(CC1)C2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H20N6O4S/c1-24(22,23)17-10-4-6-18(7-5-10)13-14-8-11(19(20)21)12(16-13)15-9-2-3-9/h8-10,17H,2-7H2,1H3,(H,14,15,16)