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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=CC=CC=C4S3

InChI

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