7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Openeye Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione CAS Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1,3-dimethyl-8-(4-phenyl-1-piperazinyl)purine-2,6-dione IUPAC Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)purine-2,6-dione Traditional Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1,3-dimethyl-8-(4-phenylpiperazino)xanthine Formula: C26H27N7O3S MolecularWeight: 517.60268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C26H27N7O3S/c1-29-22-21(23(34)30(2)26(29)35)33(16-17-37-25-27-19-10-6-7-11-20(19)36-25)24(28-22)32-14-12-31(13-15-32)18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3