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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H11ClN6O2S MolecularWeight: 398.82624

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClN6O2S/c18-10-5-7-11(8-6-10)21-15-14(24(25)26)16(20-9-19-15)23-17-22-12-3-1-2-4-13(12)27-17/h1-9H,(H2,19,20,21,22,23)