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

Systemtic Name: N4-butan-2-yl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-sec-butyl-pyrimidine-4,6-diamine CAS Name: N4-butan-2-yl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-butan-2-yl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-sec-butyl-amine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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