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

Systemtic Name: N4-cyclopentyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: cyclopentyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3/c27-26(28)19-20(24-15-6-4-5-7-15)22-14-23-21(19)25-16-10-12-18(13-11-16)29-17-8-2-1-3-9-17/h1-3,8-15H,4-7H2,(H2,22,23,24,25)