(E)-3-[3-(cyclopropylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal

Systemtic Name: (E)-3-[3-(cyclopropylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclopropylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclopropylamino)-6,6-bis(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclopropylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclopropylamino)-6,6-bis(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NN(C3=C2C=CC(C3)(C4=NC=NC=C4)C5=NC=NC=C5)C=CC=O

Isomeric SMILES

C1CC1NC2=NN(C3=C2C=CC(C3)(C4=NC=NC=C4)C5=NC=NC=C5)/C=C/C=O

InChI

InChI=1S/C21H19N7O/c29-11-1-10-28-17-12-21(18-5-8-22-13-24-18,19-6-9-23-14-25-19)7-4-16(17)20(27-28)26-15-2-3-15/h1,4-11,13-15H,2-3,12H2,(H,26,27)/b10-1+