5-nitro-N4-(4-phenoxyphenyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N-(4-phenoxyphenyl)-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(4-phenoxyphenyl)amine Formula: C25H23N5O3 MolecularWeight: 441.48182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3/c1-17(2)18-8-10-19(11-9-18)28-24-23(30(31)32)25(27-16-26-24)29-20-12-14-22(15-13-20)33-21-6-4-3-5-7-21/h3-17H,1-2H3,(H2,26,27,28,29)