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

Systemtic Name: N6-(2,4-dichlorophenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dichlorophenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dichlorophenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dichlorophenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C18H12Cl2N6O2S MolecularWeight: 447.29788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C18H12Cl2N6O2S/c1-9-2-4-13-14(6-9)29-18(24-13)25-17-15(26(27)28)16(21-8-22-17)23-12-5-3-10(19)7-11(12)20/h2-8H,1H3,(H2,21,22,23,24,25)