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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])NC3=NC4=C(S3)C=C(C=C4)C

InChI

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