6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-1H-pyrimidin-4-one

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-1H-pyrimidin-4-one Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-1H-pyrimidin-4-one CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-1H-pyrimidin-4-one IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethylamino]-5-nitro-1H-pyrimidin-4-one Traditional Name: 6-(homoveratrylamino)-5-nitro-1H-pyrimidin-4-one Formula: C14H16N4O5 MolecularWeight: 320.30064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N=CN2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N=CN2)[N+](=O)[O-])OC

InChI

InChI=1S/C14H16N4O5/c1-22-10-4-3-9(7-11(10)23-2)5-6-15-13-12(18(20)21)14(19)17-8-16-13/h3-4,7-8H,5-6H2,1-2H3,(H2,15,16,17,19)