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

Systemtic Name: 2-[cyanomethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]ethanenitrile Openeye Name: 2-[cyanomethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-pyrimidin-4-yl]amino]acetonitrile CAS Name: 2-[cyanomethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]acetonitrile IUPAC Name: 2-[cyanomethyl-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitropyrimidin-4-yl]amino]acetonitrile Traditional Name: 2-[cyanomethyl-[6-(homoveratrylamino)-5-nitro-pyrimidin-4-yl]amino]acetonitrile Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O4/c1-28-14-4-3-13(11-15(14)29-2)5-8-21-17-16(25(26)27)18(23-12-22-17)24(9-6-19)10-7-20/h3-4,11-12H,5,8-10H2,1-2H3,(H,21,22,23)