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

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H25N5O3/c1-2-3-13-27-16-9-7-15(8-10-16)22-18-17(24(25)26)19(21-14-20-18)23-11-5-4-6-12-23/h7-10,14H,2-6,11-13H2,1H3,(H,20,21,22)