1,3-di(cyclobutyl)-8-(5-oxidanyl-1,3-benzothiazol-2-yl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-di(cyclobutyl)-8-(5-oxidanyl-1,3-benzothiazol-2-yl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1,3-di(cyclobutyl)-8-(5-hydroxy-1,3-benzothiazol-2-yl)purine-2,6-dione CAS Name: 1,3-di(cyclobutyl)-8-(5-hydroxy-1,3-benzothiazol-2-yl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-di(cyclobutyl)-8-(5-hydroxy-1,3-benzothiazol-2-yl)purine-2,6-dione Traditional Name: 7-benzyl-1,3-di(cyclobutyl)-8-(5-hydroxy-1,3-benzothiazol-2-yl)xanthine Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C(=N3)C5=NC6=C(S5)C=CC(=C6)O)CC7=CC=CC=C7

Isomeric SMILES

C1CC(C1)N2C3=C(C(=O)N(C2=O)C4CCC4)N(C(=N3)C5=NC6=C(S5)C=CC(=C6)O)CC7=CC=CC=C7

InChI

InChI=1S/C27H25N5O3S/c33-19-12-13-21-20(14-19)28-25(36-21)24-29-23-22(30(24)15-16-6-2-1-3-7-16)26(34)32(18-10-5-11-18)27(35)31(23)17-8-4-9-17/h1-3,6-7,12-14,17-18,33H,4-5,8-11,15H2