2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]ethanenitrile

Systemtic Name: 2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]ethanenitrile Openeye Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]acetonitrile CAS Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]acetonitrile IUPAC Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]acetonitrile Traditional Name: 2-[7-keto-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]acetonitrile Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC#N)C(=O)N=C(N2)C3=CC=CC=C3OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC#N)C(=O)N=C(N2)C3=CC=CC=C3OCCC

InChI

InChI=1S/C19H21N5O2/c1-3-7-14-16-17(23-24(14)11-10-20)19(25)22-18(21-16)13-8-5-6-9-15(13)26-12-4-2/h5-6,8-9H,3-4,7,11-12H2,1-2H3,(H,21,22,25)