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

Systemtic Name: 3-[furan-2-ylmethyl-(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)amino]propanenitrile Openeye Name: 3-[2-furylmethyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[2-furanylmethyl-[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[furan-2-ylmethyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[2-furfuryl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propionitrile Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O4/c17-4-2-5-21(11-13-3-1-8-26-13)16-14(22(23)24)15(18-12-19-16)20-6-9-25-10-7-20/h1,3,8,12H,2,5-7,9-11H2