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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,3-dimethylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H21N5O2/c1-14-6-5-9-18(15(14)2)24-20-19(26(27)28)21(23-13-22-20)25-11-10-16-7-3-4-8-17(16)12-25/h3-9,13H,10-12H2,1-2H3,(H,22,23,24)