1-(5-chloranyl-2-methyl-phenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(5-chloro-2-methylphenyl)-N-(3-phenylpropyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(5-chloro-2-methylphenyl)-N-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-(3-phenylpropyl)amine Formula: C21H20ClN5 MolecularWeight: 377.87

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C3=C(C=N2)C(=NC=N3)NCCCC4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5/c1-15-9-10-17(22)12-19(15)27-21-18(13-26-27)20(24-14-25-21)23-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,24,25)