5-ethyl-7-(2-methylpropyl)-2-[(4-pyridin-2-ylphenyl)methyl]-3-pyridin-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione

Systemtic Name: 5-ethyl-7-(2-methylpropyl)-2-[(4-pyridin-2-ylphenyl)methyl]-3-pyridin-2-ylsulfanyl-pyrazolo[3,4-d]pyrimidine-4,6-dione Openeye Name: 5-ethyl-7-isobutyl-2-[[4-(2-pyridyl)phenyl]methyl]-3-(2-pyridylsulfanyl)pyrazolo[3,4-d]pyrimidine-4,6-dione CAS Name: 5-ethyl-7-(2-methylpropyl)-2-[[4-(2-pyridinyl)phenyl]methyl]-3-(2-pyridinylthio)pyrazolo[3,4-d]pyrimidine-4,6-dione IUPAC Name: 5-ethyl-7-(2-methylpropyl)-2-[(4-pyridin-2-ylphenyl)methyl]-3-pyridin-2-ylsulfanylpyrazolo[3,4-d]pyrimidine-4,6-dione Traditional Name: 5-ethyl-7-isobutyl-2-[4-(2-pyridyl)benzyl]-3-(2-pyridylthio)pyrazolo[3,4-d]pyrimidine-4,6-quinone Formula: C28H28N6O2S MolecularWeight: 512.62592

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N(N=C2N(C1=O)CC(C)C)CC3=CC=C(C=C3)C4=CC=CC=N4)SC5=CC=CC=N5

Isomeric SMILES

CCN1C(=O)C2=C(N(N=C2N(C1=O)CC(C)C)CC3=CC=C(C=C3)C4=CC=CC=N4)SC5=CC=CC=N5

InChI

InChI=1S/C28H28N6O2S/c1-4-32-26(35)24-25(33(28(32)36)17-19(2)3)31-34(27(24)37-23-10-6-8-16-30-23)18-20-11-13-21(14-12-20)22-9-5-7-15-29-22/h5-16,19H,4,17-18H2,1-3H3