3-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]propanenitrile

Systemtic Name: 3-[(6-morpholin-4-yl-5-nitro-pyrimidin-4-yl)-(phenylmethyl)amino]propanenitrile Openeye Name: 3-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propanenitrile CAS Name: 3-[[6-(4-morpholinyl)-5-nitro-4-pyrimidinyl]-(phenylmethyl)amino]propanenitrile IUPAC Name: 3-[benzyl-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]propanenitrile Traditional Name: 3-[benzyl-(6-morpholino-5-nitro-pyrimidin-4-yl)amino]propionitrile Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC=N2)N(CCC#N)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c19-7-4-8-23(13-15-5-2-1-3-6-15)18-16(24(25)26)17(20-14-21-18)22-9-11-27-12-10-22/h1-3,5-6,14H,4,8-13H2