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

Systemtic Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,5-dimethoxyphenyl)-N4-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C20H18N6O5S MolecularWeight: 454.45912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5S/c1-29-11-5-7-15(31-3)14(8-11)23-18-17(26(27)28)19(22-10-21-18)25-20-24-13-6-4-12(30-2)9-16(13)32-20/h4-10H,1-3H3,(H2,21,22,23,24,25)