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

Systemtic Name: 5-nitro-N6-(2-piperidin-1-ylethyl)-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-[2-(1-piperidinyl)ethyl]-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

InChI

InChI=1S/C14H19N7O2S/c22-21(23)11-12(15-4-8-20-6-2-1-3-7-20)17-10-18-13(11)19-14-16-5-9-24-14/h5,9-10H,1-4,6-8H2,(H2,15,16,17,18,19)