N-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]amine Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])OC

InChI

InChI=1S/C18H21N5O4/c1-26-15-7-11-5-6-22(10-12(11)8-16(15)27-2)18-19-9-14(23(24)25)17(21-18)20-13-3-4-13/h7-9,13H,3-6,10H2,1-2H3,(H,19,20,21)