N-[(3-methoxy-4-propoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-[(3-methoxy-4-propoxy-phenyl)methyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-[(3-methoxy-4-propoxyphenyl)methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (3-methoxy-4-propoxy-benzyl)-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C22H23N5O2/c1-3-11-29-19-10-9-16(12-20(19)28-2)13-23-21-18-14-26-27(22(18)25-15-24-21)17-7-5-4-6-8-17/h4-10,12,14-15H,3,11,13H2,1-2H3,(H,23,24,25)