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

Systemtic Name: 8-(isothiocyanatomethyl)-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-(isothiocyanatomethyl)-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-(isothiocyanatomethyl)-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-(isothiocyanatomethyl)-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-(isothiocyanatomethyl)-1,3-dimethyl-7-propyl-xanthine Formula: C12H15N5O2S MolecularWeight: 293.3448

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN=C=S

InChI

InChI=1S/C12H15N5O2S/c1-4-5-17-8(6-13-7-20)14-10-9(17)11(18)16(3)12(19)15(10)2/h4-6H2,1-3H3