5-(2,2-dimethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(2,2-dimethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(2,2-dimethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(2,2-dimethoxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(2,2-dimethoxyethyl)-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(2,2-dimethoxyethyl)-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COC(CC1=CC(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C22H21N3O3S/c1-27-21(28-2)13-16-12-20(26)25-22(24-16)19(14-23-25)15-8-10-18(11-9-15)29-17-6-4-3-5-7-17/h3-12,14,21,23H,13H2,1-2H3