5-(3,7-dimethyloctoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(3,7-dimethyloctoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(3,7-dimethyloctoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(3,7-dimethyloctoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(3,7-dimethyloctoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(3,7-dimethyloctoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCOCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(C)CCCC(C)CCOCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O2S/c1-21(2)8-7-9-22(3)16-17-34-20-24-18-28(33)32-29(31-24)27(19-30-32)23-12-14-26(15-13-23)35-25-10-5-4-6-11-25/h4-6,10-15,18-19,21-22,30H,7-9,16-17,20H2,1-3H3