3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[[6-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-[4-(furan-2-carbonyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[[6-[4-(2-furoyl)piperazino]-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C16H17N7O4 MolecularWeight: 371.35068

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=NC=N2)NCCC#N)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C2=C(C(=NC=N2)NCCC#N)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C16H17N7O4/c17-4-2-5-18-14-13(23(25)26)15(20-11-19-14)21-6-8-22(9-7-21)16(24)12-3-1-10-27-12/h1,3,10-11H,2,5-9H2,(H,18,19,20)