4-[5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde; prop-1-ene

Systemtic Name: 4-[5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde; prop-1-ene Openeye Name: 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-thioxo-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde; prop-1-ene CAS Name: 4-[5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-4-sulfanylidene-1H-pyrimidin-2-yl]-1-piperazinecarboxaldehyde; 1-propene IUPAC Name: 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-sulfanylidene-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde; prop-1-ene Traditional Name: 4-[5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)-4-thioxo-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde; prop-1-ene Formula: C16H24N6O4S2 MolecularWeight: 428.52956

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Descriptors Computed from Structure

Canonical SMILES:

CC=C.C1CN(CCN1C=O)C2=NC(=S)C(=C(N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-]

Isomeric SMILES

CC=C.C1CN(CCN1C=O)C2=NC(=S)C(=C(N2)[N+]3(CCSCC3)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H18N6O4S2.C3H6/c20-9-16-1-3-17(4-2-16)13-14-11(10(18(21)22)12(24)15-13)19(23)5-7-25-8-6-19;1-3-2/h9H,1-8H2,(H,14,15,24);3H,1H2,2H3