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

Systemtic Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-(1-imidazolyl)propyl]-5-nitro-4-pyrimidinamine IUPAC Name: 6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-nitro-pyrimidin-4-yl]-(3-imidazol-1-ylpropyl)amine Formula: C19H21N7O2 MolecularWeight: 379.41574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)NCCCN4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N7O2/c27-26(28)17-18(21-7-3-9-24-11-8-20-14-24)22-13-23-19(17)25-10-6-15-4-1-2-5-16(15)12-25/h1-2,4-5,8,11,13-14H,3,6-7,9-10,12H2,(H,21,22,23)