8-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-[2-(1,3-benzoxazol-2-ylthio)acetyl]piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H21N7O4S MolecularWeight: 455.49024

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C20H21N7O4S/c1-24-16-15(17(29)25(2)20(24)30)22-18(23-16)27-9-7-26(8-10-27)14(28)11-32-19-21-12-5-3-4-6-13(12)31-19/h3-6H,7-11H2,1-2H3,(H,22,23)