4-[5-[(E)-2-ethoxyethenyl]-4-isocyano-pyrazol-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[5-[(E)-2-ethoxyethenyl]-4-isocyano-pyrazol-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[5-[(E)-2-ethoxyvinyl]-4-isocyano-pyrazol-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[5-[(E)-2-ethoxyethenyl]-4-isocyano-1-pyrazolyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[5-[(E)-2-ethoxyethenyl]-4-isocyanopyrazol-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[5-[(E)-2-ethoxyvinyl]-4-isocyano-pyrazol-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C14H13N7O MolecularWeight: 295.29932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=CC1=C(C=NN1C2=NC=NC3=C2C=NN3C)[N+]#[C-]

Isomeric SMILES

CCO/C=C/C1=C(C=NN1C2=NC=NC3=C2C=NN3C)[N+]#[C-]

InChI

InChI=1S/C14H13N7O/c1-4-22-6-5-12-11(15-2)8-19-21(12)14-10-7-18-20(3)13(10)16-9-17-14/h5-9H,4H2,1,3H3/b6-5+