N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4,5-dimethylthiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(4,5-dimethyl-2-thiazolyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (4,5-dimethylthiazol-2-yl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC(=N1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C21H18N6O3S/c1-13-14(2)31-21(24-13)26-20-18(27(28)29)19(22-12-23-20)25-15-8-10-17(11-9-15)30-16-6-4-3-5-7-16/h3-12H,1-2H3,(H2,22,23,24,25,26)