1-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(2,4-dimethylphenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2,4-dimethylphenyl)-N-(2-oxolanylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(2,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C18H21N5O MolecularWeight: 323.39224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4CCCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4CCCO4)C

InChI

InChI=1S/C18H21N5O/c1-12-5-6-16(13(2)8-12)23-18-15(10-22-23)17(20-11-21-18)19-9-14-4-3-7-24-14/h5-6,8,10-11,14H,3-4,7,9H2,1-2H3,(H,19,20,21)