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

Systemtic Name: 1-phenyl-5-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-phenyl-5-[(Z)-(2-prop-2-ynoxyphenyl)methyleneamino]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-phenyl-5-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-phenyl-5-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-phenyl-5-[(Z)-(2-propargyloxybenzylidene)amino]pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H15N5O2 MolecularWeight: 369.3761

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=NN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H15N5O2/c1-2-12-28-19-11-7-6-8-16(19)13-23-25-15-22-20-18(21(25)27)14-24-26(20)17-9-4-3-5-10-17/h1,3-11,13-15H,12H2/b23-13-