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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H19N5O3/c1-28-17-8-4-7-16(11-17)23-19-18(25(26)27)20(22-13-21-19)24-10-9-14-5-2-3-6-15(14)12-24/h2-8,11,13H,9-10,12H2,1H3,(H,21,22,23)