N-ethyl-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-ethyl-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-ethyl-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-ethyl-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-ethyl-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-benzyl-N-ethyl-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N(CC)CC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)N(CC)CC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O2S/c1-3-29(17-21-13-9-6-10-14-21)23(32)19-34-26-27-22-18-30(4-2)28-24(22)25(33)31(26)16-15-20-11-7-5-8-12-20/h5-14,18H,3-4,15-17,19H2,1-2H3