8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzoxazol-2-ylthio)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(1,3-benzoxazol-2-ylthio)-1,3-dimethyl-xanthine Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC=C

InChI

InChI=1S/C17H15N5O3S/c1-4-9-22-12-13(20(2)17(24)21(3)14(12)23)19-15(22)26-16-18-10-7-5-6-8-11(10)25-16/h4-8H,1,9H2,2-3H3