N-[(3,4-diethoxyphenyl)methyl]-1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-ethynylphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3,4-diethoxybenzyl)-[1-(3-ethynylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC(=C4)C#C)OCC

InChI

InChI=1S/C24H23N5O2/c1-4-17-8-7-9-19(12-17)29-24-20(15-28-29)23(26-16-27-24)25-14-18-10-11-21(30-5-2)22(13-18)31-6-3/h1,7-13,15-16H,5-6,14H2,2-3H3,(H,25,26,27)