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

Systemtic Name: N6-(2,4-dichlorophenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dichlorophenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dichlorophenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dichlorophenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C18H12Cl2N6O3S MolecularWeight: 463.29728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=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/C18H12Cl2N6O3S/c1-29-10-3-5-13-14(7-10)30-18(24-13)25-17-15(26(27)28)16(21-8-22-17)23-12-4-2-9(19)6-11(12)20/h2-8H,1H3,(H2,21,22,23,24,25)