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

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-purine-2,6-dione CAS Name: 8-(1,3-benzoxazol-2-ylthio)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(1,3-benzoxazol-2-ylthio)-3-methyl-xanthine Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)SC3=NC4=CC=CC=C4O3)CC=C

InChI

InChI=1S/C16H13N5O3S/c1-3-8-21-11-12(20(2)14(23)19-13(11)22)18-15(21)25-16-17-9-6-4-5-7-10(9)24-16/h3-7H,1,8H2,2H3,(H,19,22,23)