1,3-dimethyl-6-[5-(5-methylthiophen-2-yl)-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1,3-dimethyl-6-[5-(5-methylthiophen-2-yl)-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1,3-dimethyl-6-[5-(5-methyl-2-thienyl)-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1,3-dimethyl-6-[5-(5-methyl-2-thiophenyl)-2-propoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1,3-dimethyl-6-[5-(5-methylthiophen-2-yl)-2-propoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1,3-dimethyl-6-[5-(5-methyl-2-thienyl)-2-propoxy-phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2=CC=C(S2)C)C3=NC(=O)C4=C(NN(C4=N3)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2=CC=C(S2)C)C3=NC(=O)C4=C(NN(C4=N3)C)C

InChI

InChI=1S/C21H22N4O2S/c1-5-10-27-16-8-7-14(17-9-6-12(2)28-17)11-15(16)19-22-20-18(21(26)23-19)13(3)24-25(20)4/h6-9,11,24H,5,10H2,1-4H3