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

Systemtic Name: 3-[furan-2-ylmethyl-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-(2-furylmethyl)amino]propanenitrile CAS Name: 3-[2-furanylmethyl-[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-(furan-2-ylmethyl)amino]propanenitrile Traditional Name: 3-[[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-(2-furfuryl)amino]propionitrile Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)N(CCC#N)CC4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O3/c24-9-5-10-29(17-20-8-4-15-33-20)23-21(30(31)32)22(25-18-26-23)28-13-11-27(12-14-28)16-19-6-2-1-3-7-19/h1-4,6-8,15,18H,5,10-14,16-17H2