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

Systemtic Name: N-(3-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(3-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-bromophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (3-bromophenyl)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C19H16BrN5O2 MolecularWeight: 426.26664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5O2/c20-15-6-3-7-16(10-15)23-18-17(25(26)27)19(22-12-21-18)24-9-8-13-4-1-2-5-14(13)11-24/h1-7,10,12H,8-9,11H2,(H,21,22,23)