(E)-3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]prop-2-enenitrile

Systemtic Name: (E)-3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]prop-2-enenitrile Openeye Name: (E)-3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]prop-2-enenitrile CAS Name: (E)-3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]-2-propenenitrile IUPAC Name: (E)-3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]prop-2-enenitrile Traditional Name: (E)-3-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]acrylonitrile Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)C=CC#N)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)/C=C/C#N)OCC)C

InChI

InChI=1S/C20H21N5O2/c1-4-7-15-17-18(25(3)24-15)20(26)23-19(22-17)14-12-13(8-6-11-21)9-10-16(14)27-5-2/h6,8-10,12H,4-5,7H2,1-3H3,(H,22,23,26)/b8-6+