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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloranyl-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-chloro-4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3-chloro-4-methyl-phenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-piperonyl-amine Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C20H16ClN5O2/c1-12-2-4-14(7-16(12)21)26-20-15(9-25-26)19(23-10-24-20)22-8-13-3-5-17-18(6-13)28-11-27-17/h2-7,9-10H,8,11H2,1H3,(H,22,23,24)