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

Systemtic Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]piperidin-4-yl]propane-1-sulfonamide Openeye Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]propane-1-sulfonamide CAS Name: N-[1-[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]-4-piperidinyl]-1-propanesulfonamide IUPAC Name: N-[1-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]piperidin-4-yl]propane-1-sulfonamide Traditional Name: N-[1-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]-4-piperidyl]propane-1-sulfonamide Formula: C15H24N6O4S MolecularWeight: 384.45386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N6O4S/c1-2-9-26(24,25)19-12-5-7-20(8-6-12)15-16-10-13(21(22)23)14(18-15)17-11-3-4-11/h10-12,19H,2-9H2,1H3,(H,16,17,18)