N-[[4-[9-(oxan-2-yl)purin-6-yl]oxyphenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-[9-(oxan-2-yl)purin-6-yl]oxyphenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: 2-phenyl-N-[[4-(9-tetrahydropyran-2-ylpurin-6-yl)oxyphenyl]carbamothioyl]acetamide CAS Name: N-[[4-[[9-(2-oxanyl)-6-purinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-[9-(oxan-2-yl)purin-6-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide Traditional Name: 2-phenyl-N-[[4-(9-tetrahydropyran-2-ylpurin-6-yl)oxyphenyl]thiocarbamoyl]acetamide Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3OC4=CC=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3OC4=CC=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N6O3S/c32-20(14-17-6-2-1-3-7-17)30-25(35)29-18-9-11-19(12-10-18)34-24-22-23(26-15-27-24)31(16-28-22)21-8-4-5-13-33-21/h1-3,6-7,9-12,15-16,21H,4-5,8,13-14H2,(H2,29,30,32,35)