N6-(3-methoxypropyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-(3-methoxypropyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(3-methoxypropyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-(3-methoxypropyl)-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-methoxypropyl)-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: 3-methoxypropyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

COCCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O4/c1-28-13-5-12-21-19-18(25(26)27)20(23-14-22-19)24-15-8-10-17(11-9-15)29-16-6-3-2-4-7-16/h2-4,6-11,14H,5,12-13H2,1H3,(H2,21,22,23,24)