7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methylpropyl]-3-methyl-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropyl]-3-methyl-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methyl-propyl]-3-methyl-8-(4-methylpiperidino)xanthine Formula: C23H28N6O3S MolecularWeight: 468.57182

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H28N6O3S/c1-14-8-10-28(11-9-14)21-25-19-18(20(30)26-22(31)27(19)3)29(21)12-15(2)13-33-23-24-16-6-4-5-7-17(16)32-23/h4-7,14-15H,8-13H2,1-3H3,(H,26,30,31)