N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-3-hex-1-ynyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-methanimidamide

Systemtic Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-oxidanyl-oxolan-2-yl]-3-hex-1-ynyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-methanimidamide Openeye Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-3-hex-1-ynyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-formamidine CAS Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-2-oxolanyl]-3-hex-1-ynyl-4-pyrazolo[3,4-d]pyrimidinyl]-N,N-dimethylmethanimidamide IUPAC Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-3-hex-1-ynylpyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide Traditional Name: N'-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-4-hydroxy-tetrahydrofuran-2-yl]-3-hex-1-ynyl-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-formamidine Formula: C40H44N6O5 MolecularWeight: 688.81456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NN(C2=NC=NC(=C12)N=CN(C)C)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

Isomeric SMILES

CCCCC#CC1=NN(C2=NC=NC(=C12)/N=C/N(C)C)[C@H]3C[C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O

InChI

InChI=1S/C40H44N6O5/c1-6-7-8-12-15-33-37-38(43-27-45(2)3)41-26-42-39(37)46(44-33)36-24-34(47)35(51-36)25-50-40(28-13-10-9-11-14-28,29-16-20-31(48-4)21-17-29)30-18-22-32(49-5)23-19-30/h9-11,13-14,16-23,26-27,34-36,47H,6-8,24-25H2,1-5H3/b43-27+/t34-,35+,36+/m0/s1