7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione Openeye Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-1,3-dimethyl-8-[methyl-(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(1,3-benzoxazol-2-ylthio)ethyl]-8-[benzyl(methyl)amino]-1,3-dimethyl-xanthine Formula: C24H24N6O3S MolecularWeight: 476.55076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5O4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CCSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C24H24N6O3S/c1-27(15-16-9-5-4-6-10-16)22-26-20-19(21(31)29(3)24(32)28(20)2)30(22)13-14-34-23-25-17-11-7-8-12-18(17)33-23/h4-12H,13-15H2,1-3H3