3-[2-cyanoethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amino]propionitrile Formula: C20H23N7O4 MolecularWeight: 425.44112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)N(CCC#N)CCC#N)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N7O4/c1-30-16-6-5-15(13-17(16)31-2)7-10-23-19-18(27(28)29)20(25-14-24-19)26(11-3-8-21)12-4-9-22/h5-6,13-14H,3-4,7,10-12H2,1-2H3,(H,23,24,25)