4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine

Systemtic Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine Openeye Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]thiomorpholine CAS Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]thiomorpholine IUPAC Name: 4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]thiomorpholine Traditional Name: 4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]thiomorpholine Formula: C20H24N6O4S MolecularWeight: 444.50736

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCSCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=NC=N4)N5CCSCC5)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O4S/c27-26(28)18-19(21-13-22-20(18)25-7-9-31-10-8-25)24-5-3-23(4-6-24)12-15-1-2-16-17(11-15)30-14-29-16/h1-2,11,13H,3-10,12,14H2