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

Systemtic Name: 5-(dimethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(dimethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(dimethoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(dimethoxymethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(dimethoxymethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC(C1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-26-21(27-2)18-12-19(25)24-20(23-18)17(13-22-24)14-8-10-16(11-9-14)28-15-6-4-3-5-7-15/h3-13,21-22H,1-2H3