N2-(3-methoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-(3-methoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-(3-methoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-(3-methoxyphenyl)-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-(3-methoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(3-methoxyphenyl)amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC(=C(C(=N2)N)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C16H20N6O3/c1-25-12-7-5-6-11(10-12)18-16-19-14(17)13(22(23)24)15(20-16)21-8-3-2-4-9-21/h5-7,10H,2-4,8-9H2,1H3,(H3,17,18,19,20)