N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imidazol-1-yl-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(1-imidazolyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imidazol-1-yl-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-(6-imidazol-1-yl-5-nitro-pyrimidin-4-yl)amine Formula: C17H18N6O4 MolecularWeight: 370.36262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C=CN=C3)OC

InChI

InChI=1S/C17H18N6O4/c1-26-13-4-3-12(9-14(13)27-2)5-6-19-16-15(23(24)25)17(21-10-20-16)22-8-7-18-11-22/h3-4,7-11H,5-6H2,1-2H3,(H,19,20,21)