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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-chloro-3-pyridyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-chloro-3-pyridinyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-chloropyridin-3-yl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-chloro-3-pyridyl)-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C18H15ClN6O2 MolecularWeight: 382.8037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN6O2/c19-16-14(6-3-8-20-16)23-17-15(25(26)27)18(22-11-21-17)24-9-7-12-4-1-2-5-13(12)10-24/h1-6,8,11H,7,9-10H2,(H,21,22,23)