7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-ethyl-8-(isothiocyanatomethyl)-1,3-dimethyl-xanthine Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S

Isomeric SMILES

CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S

InChI

InChI=1S/C11H13N5O2S/c1-4-16-7(5-12-6-19)13-9-8(16)10(17)15(3)11(18)14(9)2/h4-5H2,1-3H3