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

Systemtic Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H18N6O4S MolecularWeight: 438.45972

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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=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4S/c1-11-4-6-13-16(8-11)31-20(24-13)25-19-17(26(27)28)18(21-10-22-19)23-14-9-12(29-2)5-7-15(14)30-3/h4-10H,1-3H3,(H2,21,22,23,24,25)