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

Systemtic Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(2,4-dimethoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (2,4-dimethoxyphenyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3)OC

InChI

InChI=1S/C17H21N5O4/c1-25-12-6-7-13(14(10-12)26-2)20-16-15(22(23)24)17(19-11-18-16)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19,20)