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

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C13H14N8O2S MolecularWeight: 346.36766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

Isomeric SMILES

C1=CN(C=N1)CCCNC2=NC=NC(=C2[N+](=O)[O-])NC3=NC=CS3

InChI

InChI=1S/C13H14N8O2S/c22-21(23)10-11(15-2-1-5-20-6-3-14-9-20)17-8-18-12(10)19-13-16-4-7-24-13/h3-4,6-9H,1-2,5H2,(H2,15,16,17,18,19)