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

Systemtic Name: N-cyclohexyl-2-[2-ethyl-7-oxidanylidene-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: 2-(6-benzyl-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[[2-ethyl-7-oxo-6-(phenylmethyl)-5-pyrazolo[4,3-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-(6-benzyl-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[(6-benzyl-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-cyclohexyl-acetamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-2-26-14-18-20(25-26)21(29)27(13-16-9-5-3-6-10-16)22(24-18)30-15-19(28)23-17-11-7-4-8-12-17/h3,5-6,9-10,14,17H,2,4,7-8,11-13,15H2,1H3,(H,23,28)