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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C19H14ClN5O2 MolecularWeight: 379.79976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C19H14ClN5O2/c1-11-2-4-13(7-15(11)20)25-19-14(8-23-25)18(21-9-22-19)24-12-3-5-16-17(6-12)27-10-26-16/h2-9H,10H2,1H3,(H,21,22,24)