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

Systemtic Name: N4-(1-adamantyl)-5-nitro-N6-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-5-nitro-N6-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-5-nitro-N6-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-5-nitro-6-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C17H20N6O2S MolecularWeight: 372.4447

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=NC=CS5

InChI

InChI=1S/C17H20N6O2S/c24-23(25)13-14(21-16-18-1-2-26-16)19-9-20-15(13)22-17-6-10-3-11(7-17)5-12(4-10)8-17/h1-2,9-12H,3-8H2,(H2,18,19,20,21,22)