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

Systemtic Name: N6-hexadecyl-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-hexadecyl-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-hexadecyl-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-hexadecyl-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: cetyl-[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amine Formula: C23H38N6O2S MolecularWeight: 462.65182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC=CS2

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC=CS2

InChI

InChI=1S/C23H38N6O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-21-20(29(30)31)22(27-19-26-21)28-23-25-17-18-32-23/h17-19H,2-16H2,1H3,(H2,24,25,26,27,28)