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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-piperonyl-amine Formula: C21H19N5O2 MolecularWeight: 373.40786

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O2/c1-13-3-5-16(7-14(13)2)26-21-17(10-25-26)20(23-11-24-21)22-9-15-4-6-18-19(8-15)28-12-27-18/h3-8,10-11H,9,12H2,1-2H3,(H,22,23,24)