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

Systemtic Name: N4-ethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-ethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-ethyl-N6-(6-methoxy-1,3-benzothiazol-2-yl)-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-ethyl-6-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: ethyl-[6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-(m-tolyl)amine Formula: C21H20N6O3S MolecularWeight: 436.4869

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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=C(S3)C=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c1-4-26(14-7-5-6-13(2)10-14)20-18(27(28)29)19(22-12-23-20)25-21-24-16-9-8-15(30-3)11-17(16)31-21/h5-12H,4H2,1-3H3,(H,22,23,24,25)