5-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[(Z)-(3-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[(Z)-(3-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[(Z)-(3-ethoxy-4-propargyloxy-benzylidene)amino]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\N2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)OCC#C

InChI

InChI=1S/C23H19N5O3/c1-3-12-31-20-11-10-17(13-21(20)30-4-2)14-25-27-16-24-22-19(23(27)29)15-26-28(22)18-8-6-5-7-9-18/h1,5-11,13-16H,4,12H2,2H3/b25-14-