3-[4-azanylidene-5-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile

Systemtic Name: 3-[4-azanylidene-5-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile Openeye Name: 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile CAS Name: 3-[4-imino-5-(4-methoxyphenyl)-1-pyrazolo[3,4-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propanenitrile Traditional Name: 3-[4-imino-5-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]propionitrile Formula: C15H14N6O MolecularWeight: 294.31126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C(C2=N)C=NN3CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C(C2=N)C=NN3CCC#N

InChI

InChI=1S/C15H14N6O/c1-22-12-5-3-11(4-6-12)20-10-18-15-13(14(20)17)9-19-21(15)8-2-7-16/h3-6,9-10,17H,2,8H2,1H3