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

Systemtic Name: 3-[furan-2-ylmethyl-(5-nitro-6-piperidin-1-yl-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[2-furylmethyl-[5-nitro-6-(1-piperidyl)pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-furanylmethyl-[5-nitro-6-(1-piperidinyl)-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[furan-2-ylmethyl-(5-nitro-6-piperidin-1-ylpyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[2-furfuryl-(5-nitro-6-piperidino-pyrimidin-4-yl)amino]propionitrile Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3/c18-7-5-10-22(12-14-6-4-11-26-14)17-15(23(24)25)16(19-13-20-17)21-8-2-1-3-9-21/h4,6,11,13H,1-3,5,8-10,12H2