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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (4-methyl-1,3-benzothiazol-2-yl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C24H18N6O3S MolecularWeight: 470.50312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C24H18N6O3S/c1-15-6-5-9-19-20(15)28-24(34-19)29-23-21(30(31)32)22(25-14-26-23)27-16-10-12-18(13-11-16)33-17-7-3-2-4-8-17/h2-14H,1H3,(H2,25,26,27,28,29)