N-tert-butyl-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC(C)(C)C)Cl

InChI

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