1-(4-chloranyl-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-chloranyl-2-methyl-phenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-chloro-2-methyl-phenyl)-4-[(3S)-3-methyl-1-piperidyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-chloro-2-methylphenyl)-4-[(3S)-3-methyl-1-piperidinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-chloro-2-methylphenyl)-4-[(3S)-3-methylpiperidin-1-yl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-chloro-2-methyl-phenyl)-4-[(3S)-3-methylpiperidino]pyrazolo[3,4-d]pyrimidine Formula: C18H20ClN5 MolecularWeight: 341.8379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)Cl)C

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC=NC3=C2C=NN3C4=C(C=C(C=C4)Cl)C

InChI

InChI=1S/C18H20ClN5/c1-12-4-3-7-23(10-12)17-15-9-22-24(18(15)21-11-20-17)16-6-5-14(19)8-13(16)2/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3/t12-/m0/s1