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

Systemtic Name: N-(4-butylphenyl)-5-nitro-6-piperidin-1-yl-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-5-nitro-6-(1-piperidyl)pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-5-nitro-6-(1-piperidinyl)-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine Traditional Name: (4-butylphenyl)-(5-nitro-6-piperidino-pyrimidin-4-yl)amine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C19H25N5O2/c1-2-3-7-15-8-10-16(11-9-15)22-18-17(24(25)26)19(21-14-20-18)23-12-5-4-6-13-23/h8-11,14H,2-7,12-13H2,1H3,(H,20,21,22)