3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-piperazin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-8-piperazino-xanthine Formula: C16H26N6O4 MolecularWeight: 366.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OCC(CN1C2=C(N=C1N3CCNCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C16H26N6O4/c1-10(2)26-9-11(23)8-22-12-13(20(3)16(25)19-14(12)24)18-15(22)21-6-4-17-5-7-21/h10-11,17,23H,4-9H2,1-3H3,(H,19,24,25)