N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3)SC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C21H17N5O3S/c27-20(26-14-6-7-15-16(10-14)29-9-8-28-15)18(13-4-2-1-3-5-13)30-21-17-19(23-11-22-17)24-12-25-21/h1-7,10-12,18H,8-9H2,(H,26,27)(H,22,23,24,25)