4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-N-(4-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-N-[4-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C28H33N7OS MolecularWeight: 515.67292

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=C(C=C5)SC

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)NC5=CC=C(C=C5)SC

InChI

InChI=1S/C28H33N7OS/c1-4-9-24-30-26(25-20(2)32-35(27(25)31-24)22-10-6-5-7-11-22)33-16-8-17-34(19-18-33)28(36)29-21-12-14-23(37-3)15-13-21/h5-7,10-15H,4,8-9,16-19H2,1-3H3,(H,29,36)