N4-(4-butoxyphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(4-butoxyphenyl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-butoxyphenyl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(4-butoxyphenyl)amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c1-2-3-13-28-17-11-9-16(10-12-17)24-20-18(25(26)27)19(21-14-22-20)23-15-7-5-4-6-8-15/h4-12,14H,2-3,13H2,1H3,(H2,21,22,23,24)