5-nitro-N6-(oxolan-2-ylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(oxolan-2-ylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(tetrahydrofuran-2-ylmethyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-oxolanylmethyl)-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(oxolan-2-ylmethyl)-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O4/c27-26(28)19-20(22-13-18-7-4-12-29-18)23-14-24-21(19)25-15-8-10-17(11-9-15)30-16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H2,22,23,24,25)