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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-chloranyl-4-fluoranyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-chloro-4-fluoro-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(3-chloro-4-fluorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3-chloro-4-fluoro-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H10ClFN6O2S MolecularWeight: 416.816703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H10ClFN6O2S/c18-10-7-9(5-6-11(10)19)22-15-14(25(26)27)16(21-8-20-15)24-17-23-12-3-1-2-4-13(12)28-17/h1-8H,(H2,20,21,22,23,24)