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

Systemtic Name: 2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(3,5-dimethyl-1-pyrazolyl)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C(=NC=N2)N3CCC4=CC=CC=C4C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O2/c1-12-9-13(2)23(21-12)18-16(24(25)26)17(19-11-20-18)22-8-7-14-5-3-4-6-15(14)10-22/h3-6,9,11H,7-8,10H2,1-2H3