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

Systemtic Name: 2-[6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H18N4O2S/c1-14-6-8-17(9-7-14)27-20-18(24(25)26)19(21-13-22-20)23-11-10-15-4-2-3-5-16(15)12-23/h2-9,13H,10-12H2,1H3