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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-(2,6-diethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-(2,6-diethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(2,6-diethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(2,6-diethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(2,6-diethyl-7-keto-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O2S/c1-4-23-9-14-16(22-23)17(26)24(5-2)18(21-14)27-10-15(25)20-13-8-12(19)7-6-11(13)3/h6-9H,4-5,10H2,1-3H3,(H,20,25)