N-cyclohexyl-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-amine hydrochloride

Systemtic Name: N-cyclohexyl-5-nitro-2-(1-oxidanidylpiperazin-1-ium-1-yl)-6-thiomorpholin-4-yl-pyrimidin-4-amine hydrochloride Openeye Name: N-cyclohexyl-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-amine hydrochloride CAS Name: N-cyclohexyl-5-nitro-2-(1-oxido-1-piperazin-1-iumyl)-6-thiomorpholin-4-yl-4-pyrimidinamine hydrochloride IUPAC Name: N-cyclohexyl-5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholin-4-ylpyrimidin-4-amine hydrochloride Traditional Name: cyclohexyl-[5-nitro-2-(1-oxidopiperazin-1-ium-1-yl)-6-thiomorpholino-pyrimidin-4-yl]amine hydrochloride Formula: C18H30ClN7O3S MolecularWeight: 459.9939

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N3CCSCC3)[N+]4(CCNCC4)[O-].Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=NC(=C2[N+](=O)[O-])N3CCSCC3)[N+]4(CCNCC4)[O-].Cl

InChI

InChI=1S/C18H29N7O3S.ClH/c26-24(27)15-16(20-14-4-2-1-3-5-14)21-18(25(28)10-6-19-7-11-25)22-17(15)23-8-12-29-13-9-23;/h14,19H,1-13H2,(H,20,21,22);1H