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

Systemtic Name: N4-tert-butyl-N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-tert-butyl-N6-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-tert-butyl-N6-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-tert-butyl-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: tert-butyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=N1)NC2=C(C(=NC=N2)NC(C)(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N6O2S/c1-7-8(2)22-12(16-7)17-10-9(19(20)21)11(15-6-14-10)18-13(3,4)5/h6H,1-5H3,(H2,14,15,16,17,18)