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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: homoveratryl-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)OC

InChI

InChI=1S/C19H25N5O4/c1-27-15-7-6-14(12-16(15)28-2)8-9-20-18-17(24(25)26)19(22-13-21-18)23-10-4-3-5-11-23/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,21,22)