2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide

Systemtic Name: 2-[4-azanyl-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Openeye Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide CAS Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide IUPAC Name: 2-[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Traditional Name: 2-[[4-amino-3-methyl-5-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-methoxyethyl)butyramide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC4=CC=CC=C4)N)C

Isomeric SMILES

CCC(C(=O)NCCOC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)OC4=CC=CC=C4)N)C

InChI

InChI=1S/C25H28N6O3S/c1-4-20(24(32)27-14-15-33-3)35-25-28-23-21(16(2)29-30-23)22(26)31(25)17-10-12-19(13-11-17)34-18-8-6-5-7-9-18/h5-13,20H,4,14-15,26H2,1-3H3,(H,27,32)