2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-(2,5-dimethoxyphenyl)ethanone Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-1-(2,5-dimethoxyphenyl)ethanone Formula: C15H15N5O3S MolecularWeight: 345.3763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C15H15N5O3S/c1-22-8-3-4-11(23-2)9(5-8)10(21)6-24-15-19-12-13(16)17-7-18-14(12)20-15/h3-5,7H,6H2,1-2H3,(H3,16,17,18,19,20)