3-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-[6-(2,6-dimethylmorpholin-4-yl)-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[[6-(2,6-dimethyl-4-morpholinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-[6-(2,6-dimethylmorpholin-4-yl)-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[benzyl-[6-(2,6-dimethylmorpholino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(CC(O1)C)C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O3/c1-15-11-25(12-16(2)29-15)20-18(26(27)28)19(22-14-23-20)24(10-6-9-21)13-17-7-4-3-5-8-17/h3-5,7-8,14-16H,6,10-13H2,1-2H3