N-(4-butoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-6-(2-ethyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-6-(2-ethyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-6-(2-ethylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[6-(2-ethylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3CC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3CC

InChI

InChI=1S/C21H29N5O3/c1-3-5-14-29-18-11-9-16(10-12-18)24-20-19(26(27)28)21(23-15-22-20)25-13-7-6-8-17(25)4-2/h9-12,15,17H,3-8,13-14H2,1-2H3,(H,22,23,24)