N-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methyl-pentanamide

Systemtic Name: N-[3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methyl-pentanamide Openeye Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methyl-pentanamide CAS Name: N-[3-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)phenyl]-3-methylpentanamide IUPAC Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methylpentanamide Traditional Name: N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methyl-valeramide Formula: C17H20N6O MolecularWeight: 324.3803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)NC1=CC=CC(=C1)N2C3=C(C=N2)C(=NC=N3)N

Isomeric SMILES

CCC(C)CC(=O)NC1=CC=CC(=C1)N2C3=C(C=N2)C(=NC=N3)N

InChI

InChI=1S/C17H20N6O/c1-3-11(2)7-15(24)22-12-5-4-6-13(8-12)23-17-14(9-21-23)16(18)19-10-20-17/h4-6,8-11H,3,7H2,1-2H3,(H,22,24)(H2,18,19,20)