3-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile Openeye Name: 3-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile CAS Name: 3-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]-1-piperazinyl]-2-pyrazinecarbonitrile IUPAC Name: 3-[4-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]piperazin-1-yl]pyrazine-2-carbonitrile Traditional Name: 3-[4-[5-nitro-6-(4-piperonylpiperazino)pyrimidin-4-yl]piperazino]pyrazinonitrile Formula: C25H26N10O4 MolecularWeight: 530.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5CCN(CC5)C6=NC=CN=C6C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC(=C4[N+](=O)[O-])N5CCN(CC5)C6=NC=CN=C6C#N

InChI

InChI=1S/C25H26N10O4/c26-14-19-23(28-4-3-27-19)32-9-11-34(12-10-32)25-22(35(36)37)24(29-16-30-25)33-7-5-31(6-8-33)15-18-1-2-20-21(13-18)39-17-38-20/h1-4,13,16H,5-12,15,17H2