5-nitro-N4,N6-diphenethyl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4,N6-diphenethyl-pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4,N6-diphenethyl-pyrimidine-4,6-diamine CAS Name: 5-nitro-N4,N6-diphenethylpyrimidine-4,6-diamine IUPAC Name: 5-nitro-4-N,6-N-diphenethylpyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(phenethylamino)pyrimidin-4-yl]-phenethyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c26-25(27)18-19(21-13-11-16-7-3-1-4-8-16)23-15-24-20(18)22-14-12-17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,21,22,23,24)