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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(4,5-dimethylthiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(4,5-dimethyl-2-thiazolyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-[(4,5-dimethylthiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H13N7O2S2 MolecularWeight: 399.45012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C16H13N7O2S2/c1-8-9(2)26-15(19-8)21-13-12(23(24)25)14(18-7-17-13)22-16-20-10-5-3-4-6-11(10)27-16/h3-7H,1-2H3,(H2,17,18,19,20,21,22)