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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-5-nitro-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholino-5-nitro-pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-morpholinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-morpholin-4-yl-5-nitropyrimidin-4-amine Traditional Name: homoveratryl-(6-morpholino-5-nitro-pyrimidin-4-yl)amine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCOCC3)OC

InChI

InChI=1S/C18H23N5O5/c1-26-14-4-3-13(11-15(14)27-2)5-6-19-17-16(23(24)25)18(21-12-20-17)22-7-9-28-10-8-22/h3-4,11-12H,5-10H2,1-2H3,(H,19,20,21)