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

Systemtic Name: 2-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H24N6O2 MolecularWeight: 368.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCN1CCN(CC1)C2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H24N6O2/c1-2-22-9-11-23(12-10-22)18-17(25(26)27)19(21-14-20-18)24-8-7-15-5-3-4-6-16(15)13-24/h3-6,14H,2,7-13H2,1H3