N-(3-chloranyl-4-methoxy-phenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]acetamide Formula: C21H18ClN5O3S MolecularWeight: 455.91732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C21H18ClN5O3S/c1-12-3-6-14(7-4-12)27-19-18(20(29)24-11-23-19)26-21(27)31-10-17(28)25-13-5-8-16(30-2)15(22)9-13/h3-9,11H,10H2,1-2H3,(H,25,28)(H,23,24,29)