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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(m-tolyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2/c1-3-26(19-10-6-7-16(2)13-19)22-20(27(28)29)21(23-15-24-22)25-12-11-17-8-4-5-9-18(17)14-25/h4-10,13,15H,3,11-12,14H2,1-2H3