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

Systemtic Name: N4-butyl-N6-(4,5-dimethyl-1,3-thiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-butyl-N6-(4,5-dimethylthiazol-2-yl)-N4-methyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-butyl-N6-(4,5-dimethyl-2-thiazolyl)-N4-methyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-butyl-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-methyl-5-nitropyrimidine-4,6-diamine Traditional Name: butyl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amine Formula: C14H20N6O2S MolecularWeight: 336.4126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N6O2S/c1-5-6-7-19(4)13-11(20(21)22)12(15-8-16-13)18-14-17-9(2)10(3)23-14/h8H,5-7H2,1-4H3,(H,15,16,17,18)