3-methyl-6-[5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-propoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 3-methyl-6-[5-[(E)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-propoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-methyl-6-[5-[(E)-3-morpholino-3-oxo-prop-1-enyl]-2-propoxy-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-methyl-6-[5-[(E)-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-propoxyphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-methyl-6-[5-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-propoxyphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-[(E)-3-keto-3-morpholino-prop-1-enyl]-2-propoxy-phenyl]-3-methyl-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)C=CC(=O)N4CCOCC4)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C)C3=C(C=CC(=C3)/C=C/C(=O)N4CCOCC4)OCCC

InChI

InChI=1S/C25H31N5O4/c1-4-10-30-24-22(17(3)28-30)25(32)27-23(26-24)19-16-18(6-8-20(19)34-13-5-2)7-9-21(31)29-11-14-33-15-12-29/h6-9,16,28H,4-5,10-15H2,1-3H3/b9-7+