5-azanyl-3-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-3-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-amino-3-[3-(benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-amino-3-[3-(4-benzofuro[3,2-d]pyrimidinylamino)propyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-amino-3-[3-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-amino-3-[3-(benzofuro[3,2-d]pyrimidin-4-ylamino)propyl]-1-phenyl-pyrazole-4-carbonitrile Formula: C23H19N7O MolecularWeight: 409.44326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=NC4=C3OC5=CC=CC=C54)C#N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C(=N2)CCCNC3=NC=NC4=C3OC5=CC=CC=C54)C#N)N

InChI

InChI=1S/C23H19N7O/c24-13-17-18(29-30(22(17)25)15-7-2-1-3-8-15)10-6-12-26-23-21-20(27-14-28-23)16-9-4-5-11-19(16)31-21/h1-5,7-9,11,14H,6,10,12,25H2,(H,26,27,28)