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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N2C(=N1)C(=C(N2)COC)C3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

COCC1=CC(=O)N2C(=N1)C(=C(N2)COC)C3=CC=C(C=C3)SC4=CC=CC=C4

InChI

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