8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-7-isopropyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(1,3-benzoxazol-2-ylthio)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(1,3-benzoxazol-2-ylsulfanyl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(1,3-benzoxazol-2-ylthio)-7-isopropyl-1,3-dimethyl-xanthine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1SC3=NC4=CC=CC=C4O3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1SC3=NC4=CC=CC=C4O3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H17N5O3S/c1-9(2)22-12-13(20(3)17(24)21(4)14(12)23)19-15(22)26-16-18-10-7-5-6-8-11(10)25-16/h5-9H,1-4H3