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

Systemtic Name: N6-butyl-N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 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:

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC(=C(S2)C)C

Isomeric SMILES

CCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=NC(=C(S2)C)C

InChI

InChI=1S/C13H18N6O2S/c1-4-5-6-14-11-10(19(20)21)12(16-7-15-11)18-13-17-8(2)9(3)22-13/h7H,4-6H2,1-3H3,(H2,14,15,16,17,18)