5-(methoxymethyl)-3-(3-methoxy-4-phenylsulfanyl-phenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-(methoxymethyl)-3-(3-methoxy-4-phenylsulfanyl-phenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(methoxymethyl)-3-(3-methoxy-4-phenylsulfanyl-phenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(methoxymethyl)-3-[3-methoxy-4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(methoxymethyl)-3-(3-methoxy-4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(methoxymethyl)-3-[3-methoxy-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:

COCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC(=C(C=C3)SC4=CC=CC=C4)OC

Isomeric SMILES

COCC1=CC(=O)N2C(=N1)C(=CN2)C3=CC(=C(C=C3)SC4=CC=CC=C4)OC

InChI

InChI=1S/C21H19N3O3S/c1-26-13-15-11-20(25)24-21(23-15)17(12-22-24)14-8-9-19(18(10-14)27-2)28-16-6-4-3-5-7-16/h3-12,22H,13H2,1-2H3