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

Systemtic Name: N6-(5-chloranyl-2,4-dimethoxy-phenyl)-5-nitro-N4-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Openeye Name: N6-(5-chloro-2,4-dimethoxy-phenyl)-5-nitro-N4-thiazol-2-yl-pyrimidine-4,6-diamine CAS Name: N6-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-N4-(2-thiazolyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine Traditional Name: [6-(5-chloro-2,4-dimethoxy-anilino)-5-nitro-pyrimidin-4-yl]-thiazol-2-yl-amine Formula: C15H13ClN6O4S MolecularWeight: 408.81952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C15H13ClN6O4S/c1-25-10-6-11(26-2)9(5-8(10)16)20-13-12(22(23)24)14(19-7-18-13)21-15-17-3-4-27-15/h3-7H,1-2H3,(H2,17,18,19,20,21)