5-nitro-N4-phenyl-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-phenyl-N6-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-phenyl-N6-[2-(1-piperidyl)ethyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-phenyl-N6-[2-(1-piperidinyl)ethyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-phenyl-6-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(2-piperidinoethyl)amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O2/c24-23(25)15-16(18-9-12-22-10-5-2-6-11-22)19-13-20-17(15)21-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-12H2,(H2,18,19,20,21)