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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-piperonyl-amine Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H17N5O3/c1-26-15-5-3-14(4-6-15)25-20-16(10-24-25)19(22-11-23-20)21-9-13-2-7-17-18(8-13)28-12-27-17/h2-8,10-11H,9,12H2,1H3,(H,21,22,23)