7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-8-(3,5-dimethyl-1-piperidyl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methylpropyl]-8-(3,5-dimethyl-1-piperidinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropyl]-8-(3,5-dimethylpiperidin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methyl-propyl]-8-(3,5-dimethylpiperidino)-3-methyl-xanthine Formula: C24H30N6O3S MolecularWeight: 482.5984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1CC(CN(C1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C24H30N6O3S/c1-14-9-15(2)11-29(10-14)22-26-20-19(21(31)27-23(32)28(20)4)30(22)12-16(3)13-34-24-25-17-7-5-6-8-18(17)33-24/h5-8,14-16H,9-13H2,1-4H3,(H,27,31,32)