N-(1,3-benzodioxol-5-yl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[[9-(4-methylphenyl)-6-oxidanylidene-3H-purin-8-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[6-oxo-9-(p-tolyl)-3H-purin-8-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[9-(4-methylphenyl)-6-oxo-3H-purin-8-yl]sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[6-keto-9-(p-tolyl)-3H-purin-8-yl]thio]acetamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N=CN3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H17N5O4S/c1-12-2-5-14(6-3-12)26-19-18(20(28)23-10-22-19)25-21(26)31-9-17(27)24-13-4-7-15-16(8-13)30-11-29-15/h2-8,10H,9,11H2,1H3,(H,24,27)(H,22,23,28)