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

Systemtic Name: 2-[2-ethyl-7-oxidanylidene-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-(6-benzyl-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(2-furylmethyl)acetamide CAS Name: 2-[[2-ethyl-7-oxo-6-(phenylmethyl)-5-pyrazolo[4,3-d]pyrimidinyl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-(6-benzyl-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[(6-benzyl-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-(2-furfuryl)acetamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-2-25-13-17-19(24-25)20(28)26(12-15-7-4-3-5-8-15)21(23-17)30-14-18(27)22-11-16-9-6-10-29-16/h3-10,13H,2,11-12,14H2,1H3,(H,22,27)