6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(3-pyrrolidin-1-ylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]amino]-9-(3-pyrrolidin-1-ylpropyl)purine-2-carbonitrile Openeye Name: 6-(3,5-difluoroanilino)-9-(3-pyrrolidin-1-ylpropyl)purine-2-carbonitrile CAS Name: 6-(3,5-difluoroanilino)-9-[3-(1-pyrrolidinyl)propyl]-2-purinecarbonitrile IUPAC Name: 6-(3,5-difluoroanilino)-9-(3-pyrrolidin-1-ylpropyl)purine-2-carbonitrile Traditional Name: 6-(3,5-difluoroanilino)-9-(3-pyrrolidinopropyl)purine-2-carbonitrile Formula: C19H19F2N7 MolecularWeight: 383.397866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCN2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

Isomeric SMILES

C1CCN(C1)CCCN2C=NC3=C2N=C(N=C3NC4=CC(=CC(=C4)F)F)C#N

InChI

InChI=1S/C19H19F2N7/c20-13-8-14(21)10-15(9-13)24-18-17-19(26-16(11-22)25-18)28(12-23-17)7-3-6-27-4-1-2-5-27/h8-10,12H,1-7H2,(H,24,25,26)