N-(4-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-ethoxyphenyl)-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-ethoxyphenyl)-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-ethoxyphenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]-p-phenetyl-amine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCC(C3)C

InChI

InChI=1S/C18H23N5O3/c1-3-26-15-8-6-14(7-9-15)21-17-16(23(24)25)18(20-12-19-17)22-10-4-5-13(2)11-22/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,20,21)