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

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-N6-hexadecyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-N6-hexadecyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-hexadecyl-5-nitropyrimidine-4,6-diamine Traditional Name: cetyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C25H42N6O2S MolecularWeight: 490.70498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC(=C(S2)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC(=C(S2)C)C

InChI

InChI=1S/C25H42N6O2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23-22(31(32)33)24(28-19-27-23)30-25-29-20(2)21(3)34-25/h19H,4-18H2,1-3H3,(H2,26,27,28,29,30)