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

Systemtic Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-propyl]-8-(4-ethylpiperazin-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methylpropyl]-8-(4-ethyl-1-piperazinyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropyl]-8-(4-ethylpiperazin-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-[3-(1,3-benzoxazol-2-ylthio)-2-methyl-propyl]-8-(4-ethylpiperazino)-3-methyl-xanthine Formula: C23H29N7O3S MolecularWeight: 483.58646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)C2=NC3=C(N2CC(C)CSC4=NC5=CC=CC=C5O4)C(=O)NC(=O)N3C

InChI

InChI=1S/C23H29N7O3S/c1-4-28-9-11-29(12-10-28)21-25-19-18(20(31)26-22(32)27(19)3)30(21)13-15(2)14-34-23-24-16-7-5-6-8-17(16)33-23/h5-8,15H,4,9-14H2,1-3H3,(H,26,31,32)