2-ethyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide

Systemtic Name: 2-ethyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide Openeye Name: 2-ethyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide CAS Name: 2-ethyl-N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]butanamide IUPAC Name: 2-ethyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butanamide Traditional Name: 2-ethyl-N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]butyramide Formula: C21H28N6O MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCCN1C2=C(C=N1)C(=NC=N2)NCCC3=CC=CC=C3

Isomeric SMILES

CCC(CC)C(=O)NCCN1C2=C(C=N1)C(=NC=N2)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N6O/c1-3-17(4-2)21(28)23-12-13-27-20-18(14-26-27)19(24-15-25-20)22-11-10-16-8-6-5-7-9-16/h5-9,14-15,17H,3-4,10-13H2,1-2H3,(H,23,28)(H,22,24,25)