N4-(1,3-benzothiazol-2-yl)-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H15ClN6O4S MolecularWeight: 458.8782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C19H15ClN6O4S/c1-29-13-8-14(30-2)12(7-10(13)20)23-17-16(26(27)28)18(22-9-21-17)25-19-24-11-5-3-4-6-15(11)31-19/h3-9H,1-2H3,(H2,21,22,23,24,25)