2-[4-azanyl-5-(3-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(3-chloranyl-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[4-amino-5-(3-chloro-2-methylphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(3-chloro-2-methylphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[4-amino-5-(3-chloro-2-methyl-phenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-benzyl-acetamide Formula: C22H21ClN6OS MolecularWeight: 452.95974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=C3C(=NN=C3N=C2SCC(=O)NCC4=CC=CC=C4)C)N

InChI

InChI=1S/C22H21ClN6OS/c1-13-16(23)9-6-10-17(13)29-20(24)19-14(2)27-28-21(19)26-22(29)31-12-18(30)25-11-15-7-4-3-5-8-15/h3-10H,11-12,24H2,1-2H3,(H,25,30)