2-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(5-nitro-6-pyrrolidin-1-yl-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-[5-nitro-6-(1-pyrrolidinyl)-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(5-nitro-6-pyrrolidin-1-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(5-nitro-6-pyrrolidino-pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C17H19N5O2/c23-22(24)15-16(20-8-3-4-9-20)18-12-19-17(15)21-10-7-13-5-1-2-6-14(13)11-21/h1-2,5-6,12H,3-4,7-11H2