N4-(4-methoxyphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methoxyphenyl)-5-nitro-2-piperidin-1-yl-pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-5-nitro-2-(1-piperidyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-5-nitro-2-(1-piperidinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-5-nitro-2-piperidin-1-ylpyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-2-piperidino-pyrimidin-4-yl)-(4-methoxyphenyl)amine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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