5-nitro-N6-(2-piperidin-1-ylethyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-piperidin-1-ylethyl)-N4-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-[2-(1-piperidinyl)ethyl]-N4-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-(3-pyridyl)amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O2/c24-23(25)14-15(18-7-10-22-8-2-1-3-9-22)19-12-20-16(14)21-13-5-4-6-17-11-13/h4-6,11-12H,1-3,7-10H2,(H2,18,19,20,21)