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

Systemtic Name: N-[(2S)-butan-2-yl]-1-(5-chloranyl-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(5-chloro-2-methyl-phenyl)-N-[(1S)-1-methylpropyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(2S)-butan-2-yl]-1-(5-chloro-2-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(2S)-butan-2-yl]-1-(5-chloro-2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(5-chloro-2-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-[(1S)-1-methylpropyl]amine Formula: C16H18ClN5 MolecularWeight: 315.80062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC=NC2=C1C=NN2C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC[C@H](C)NC1=NC=NC2=C1C=NN2C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C16H18ClN5/c1-4-11(3)21-15-13-8-20-22(16(13)19-9-18-15)14-7-12(17)6-5-10(14)2/h5-9,11H,4H2,1-3H3,(H,18,19,21)/t11-/m0/s1