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

Systemtic Name: 2-[2-ethyl-6-[(4-methylphenyl)methyl]-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[2-ethyl-7-oxo-6-(p-tolylmethyl)pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[2-ethyl-6-[(4-methylphenyl)methyl]-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl]thio]-N-phenylacetamide IUPAC Name: 2-[2-ethyl-6-[(4-methylphenyl)methyl]-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[2-ethyl-7-keto-6-(4-methylbenzyl)pyrazolo[4,3-d]pyrimidin-5-yl]thio]-N-phenyl-acetamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O2S/c1-3-27-14-19-21(26-27)22(30)28(13-17-11-9-16(2)10-12-17)23(25-19)31-15-20(29)24-18-7-5-4-6-8-18/h4-12,14H,3,13,15H2,1-2H3,(H,24,29)