2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-morpholino-butan-1-one Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC5=CC=CC=C5)N)C

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OC5=CC=CC=C5)N)C

InChI

InChI=1S/C26H28N6O3S/c1-3-21(25(33)31-13-15-34-16-14-31)36-26-28-24-22(17(2)29-30-24)23(27)32(26)18-9-11-20(12-10-18)35-19-7-5-4-6-8-19/h4-12,21H,3,13-16,27H2,1-2H3