6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(4-phenoxyphenyl)-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-N-(4-phenoxyphenyl)pyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NC4=CC=C(C=C4)OC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O3/c31-30(32)23-24(28-20-10-12-22(13-11-20)33-21-8-2-1-3-9-21)26-17-27-25(23)29-15-14-18-6-4-5-7-19(18)16-29/h1-13,17H,14-16H2,(H,26,27,28)