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

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-butanamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-butanamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-phenylbutanamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenylbutanamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-butyramide Formula: C25H28N6O MolecularWeight: 428.52942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCC(=O)NCCN2C3=C(C=N2)C(=NC=N3)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H28N6O/c32-23(13-7-12-20-8-3-1-4-9-20)26-16-17-31-25-22(18-30-31)24(28-19-29-25)27-15-14-21-10-5-2-6-11-21/h1-6,8-11,18-19H,7,12-17H2,(H,26,32)(H,27,28,29)