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

Systemtic Name: (E)-3-[3-(cyclobutylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Openeye Name: (E)-3-[3-(cyclobutylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal CAS Name: (E)-3-[3-(cyclobutylamino)-6,6-bis(4-pyrimidinyl)-7H-indazol-1-yl]-2-propenal IUPAC Name: (E)-3-[3-(cyclobutylamino)-6,6-di(pyrimidin-4-yl)-7H-indazol-1-yl]prop-2-enal Traditional Name: (E)-3-[3-(cyclobutylamino)-6,6-bis(4-pyrimidyl)-7H-indazol-1-yl]acrolein Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=NC=NC=C4)C5=NC=NC=C5)C=CC=O

Isomeric SMILES

C1CC(C1)NC2=NN(C3=C2C=CC(C3)(C4=NC=NC=C4)C5=NC=NC=C5)/C=C/C=O

InChI

InChI=1S/C22H21N7O/c30-12-2-11-29-18-13-22(19-6-9-23-14-25-19,20-7-10-24-15-26-20)8-5-17(18)21(28-29)27-16-3-1-4-16/h2,5-12,14-16H,1,3-4,13H2,(H,27,28)/b11-2+