N-(2,5-dimethoxyphenyl)-4-[7H-purin-6-yl(sulfanyl)methyl]benzamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-[7H-purin-6-yl(sulfanyl)methyl]benzamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-[7H-purin-6-yl(sulfanyl)methyl]benzamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[mercapto(7H-purin-6-yl)methyl]benzamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-[7H-purin-6-yl(sulfanyl)methyl]benzamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[mercapto(7H-purin-6-yl)methyl]benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C(C3=C4C(=NC=N3)N=CN4)S

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C(C3=C4C(=NC=N3)N=CN4)S

InChI

InChI=1S/C21H19N5O3S/c1-28-14-7-8-16(29-2)15(9-14)26-21(27)13-5-3-12(4-6-13)19(30)17-18-20(24-10-22-17)25-11-23-18/h3-11,19,30H,1-2H3,(H,26,27)(H,22,23,24,25)