N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide

Systemtic Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide Openeye Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide CAS Name: N-[2-[4-(phenethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-phenylbenzamide IUPAC Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenylbenzamide Traditional Name: N-[2-[4-(phenethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-benzamide Formula: C28H26N6O MolecularWeight: 462.54564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=NN3CCNC(=O)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H26N6O/c35-28(24-13-11-23(12-14-24)22-9-5-2-6-10-22)30-17-18-34-27-25(19-33-34)26(31-20-32-27)29-16-15-21-7-3-1-4-8-21/h1-14,19-20H,15-18H2,(H,30,35)(H,29,31,32)