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

Systemtic Name: N6-(3-bromophenyl)-N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(4,5-dimethylthiazol-2-yl)amine Formula: C15H13BrN6O2S MolecularWeight: 421.27172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C15H13BrN6O2S/c1-8-9(2)25-15(19-8)21-14-12(22(23)24)13(17-7-18-14)20-11-5-3-4-10(16)6-11/h3-7H,1-2H3,(H2,17,18,19,20,21)