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

Systemtic Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-propan-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-isopropyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-propan-2-ylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-phenoxyphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine Traditional Name: isopropyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3/c1-13(2)22-18-17(24(25)26)19(21-12-20-18)23-14-8-10-16(11-9-14)27-15-6-4-3-5-7-15/h3-13H,1-2H3,(H2,20,21,22,23)