1-[4-[(3-methoxypropylamino)methyl]phenyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[4-[(3-methoxypropylamino)methyl]phenyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[4-[(3-methoxypropylamino)methyl]phenyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[4-[(3-methoxypropylamino)methyl]phenyl]-3-(4-phenoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[4-[(3-methoxypropylamino)methyl]phenyl]-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]benzyl]-(3-methoxypropyl)amine Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNCC1=CC=C(C=C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

Isomeric SMILES

COCCCNCC1=CC=C(C=C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N

InChI

InChI=1S/C28H28N6O2/c1-35-17-5-16-30-18-20-8-12-22(13-9-20)34-28-25(27(29)31-19-32-28)26(33-34)21-10-14-24(15-11-21)36-23-6-3-2-4-7-23/h2-4,6-15,19,30H,5,16-18H2,1H3,(H2,29,31,32)