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

Systemtic Name: N-cyclopentyl-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-cyclopentyl-acetamide CAS Name: N-cyclopentyl-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-cyclopentylacetamide Traditional Name: 2-[(6-benzyl-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-cyclopentyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2S/c1-2-25-13-17-19(24-25)20(28)26(12-15-8-4-3-5-9-15)21(23-17)29-14-18(27)22-16-10-6-7-11-16/h3-5,8-9,13,16H,2,6-7,10-12,14H2,1H3,(H,22,27)