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

Systemtic Name: 2-[2-ethyl-7-oxidanylidene-6-(phenylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-(6-benzyl-2-ethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: 2-[[2-ethyl-7-oxo-6-(phenylmethyl)-5-pyrazolo[4,3-d]pyrimidinyl]thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-(6-benzyl-2-ethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(6-benzyl-2-ethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-3-27-14-19-21(26-27)22(30)28(13-16-7-5-4-6-8-16)23(25-19)32-15-20(29)24-17-9-11-18(31-2)12-10-17/h4-12,14H,3,13,15H2,1-2H3,(H,24,29)