1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-(2,4,5-trimethoxybenzyl)amine Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C21H21N5O3/c1-27-17-10-19(29-3)18(28-2)9-14(17)11-22-20-16-12-25-26(21(16)24-13-23-20)15-7-5-4-6-8-15/h4-10,12-13H,11H2,1-3H3,(H,22,23,24)