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

Systemtic Name: N6-(2,4-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dimethylphenyl)-N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dimethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-methyl-1,3-benzothiazol-2-yl)amine Formula: C20H18N6O2S MolecularWeight: 406.46092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-])C

InChI

InChI=1S/C20H18N6O2S/c1-11-7-8-14(13(3)9-11)23-18-17(26(27)28)19(22-10-21-18)25-20-24-16-12(2)5-4-6-15(16)29-20/h4-10H,1-3H3,(H2,21,22,23,24,25)