2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: 2-[[1-(3,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NCC4=CC=CC=C4)C

InChI

InChI=1S/C22H21N5OS/c1-15-8-9-18(10-16(15)2)27-21-19(12-26-27)22(25-14-24-21)29-13-20(28)23-11-17-6-4-3-5-7-17/h3-10,12,14H,11,13H2,1-2H3,(H,23,28)