6-chloranyl-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-propan-2-yloxy-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-chloranyl-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-propan-2-yloxy-pyrazolo[3,4-d]pyrimidine Openeye Name: 6-chloro-4-isopropoxy-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]pyrazolo[3,4-d]pyrimidine CAS Name: 6-chloro-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]-2-oxolanyl]-4-propan-2-yloxypyrazolo[3,4-d]pyrimidine IUPAC Name: 6-chloro-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-propan-2-yloxypyrazolo[3,4-d]pyrimidine Traditional Name: 6-chloro-4-isopropoxy-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]pyrazolo[3,4-d]pyrimidine Formula: C27H29ClN4O4 MolecularWeight: 508.99656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2C(CC(O2)N3C4=C(C=N3)C(=NC(=N4)Cl)OC(C)C)OC5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H]2[C@H](C[C@@H](O2)N3C4=C(C=N3)C(=NC(=N4)Cl)OC(C)C)OC5=CC=C(C=C5)C

InChI

InChI=1S/C27H29ClN4O4/c1-16(2)34-26-21-14-29-32(25(21)30-27(28)31-26)24-13-22(35-20-11-7-18(4)8-12-20)23(36-24)15-33-19-9-5-17(3)6-10-19/h5-12,14,16,22-24H,13,15H2,1-4H3/t22-,23+,24+/m0/s1