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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(3,4-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(3,4-dichlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(3,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H10Cl2N6O2S MolecularWeight: 433.2713

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H10Cl2N6O2S/c18-10-6-5-9(7-11(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)