N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C23H18ClN5O3 MolecularWeight: 447.87372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=C(C(=NC=N3)NCC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H18ClN5O3/c24-17-8-6-16(7-9-17)14-25-22-21(29(30)31)23(27-15-26-22)28-18-10-12-20(13-11-18)32-19-4-2-1-3-5-19/h1-13,15H,14H2,(H2,25,26,27,28)