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

Systemtic Name: 2-[4-azanyl-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-N-ethyl-acetamide CAS Name: 2-[[4-amino-5-(4-ethoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(4-ethoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-N-ethylacetamide Traditional Name: 2-[(4-amino-3-methyl-5-p-phenetyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-benzyl-N-ethyl-acetamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OCC)N)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)OCC)N)C

InChI

InChI=1S/C25H28N6O2S/c1-4-30(15-18-9-7-6-8-10-18)21(32)16-34-25-27-24-22(17(3)28-29-24)23(26)31(25)19-11-13-20(14-12-19)33-5-2/h6-14H,4-5,15-16,26H2,1-3H3