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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(2-ethyl-7-oxidanylidene-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-(2-ethyl-7-oxo-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(2-ethyl-7-oxo-6-phenethyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(2-ethyl-7-oxo-6-phenethylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[(2-ethyl-7-keto-6-phenethyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C24H24ClN5O3S MolecularWeight: 497.99706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)OC)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN5O3S/c1-3-29-14-19-22(28-29)23(32)30(12-11-16-7-5-4-6-8-16)24(27-19)34-15-21(31)26-17-9-10-20(33-2)18(25)13-17/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,26,31)