5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-6-one CAS Name: 5-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 5-[4-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 5-[[4-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-3-(p-tolyl)-4,5-dihydro-1H-pyridazin-6-one Formula: C30H26N6O2S MolecularWeight: 534.63144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=O)C(C2)SC3=NC(=C4C(=NN(C4=N3)C5=CC=CC=C5)C)C6=CC=C(C=C6)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=O)C(C2)SC3=NC(=C4C(=NN(C4=N3)C5=CC=CC=C5)C)C6=CC=C(C=C6)OC

InChI

InChI=1S/C30H26N6O2S/c1-18-9-11-20(12-10-18)24-17-25(29(37)34-33-24)39-30-31-27(21-13-15-23(38-3)16-14-21)26-19(2)35-36(28(26)32-30)22-7-5-4-6-8-22/h4-16,25H,17H2,1-3H3,(H,34,37)