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

Systemtic Name: 1-methyl-3-(2-methylpropyl)-7-(2-oxidanyl-3-piperazin-1-yl-propyl)purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-piperazin-1-yl-propyl)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(1-piperazinyl)propyl]-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-piperazin-1-ylpropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(2-hydroxy-3-piperazino-propyl)-3-isobutyl-1-methyl-xanthine Formula: C17H28N6O3 MolecularWeight: 364.44262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3)O

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN3CCNCC3)O

InChI

InChI=1S/C17H28N6O3/c1-12(2)8-23-15-14(16(25)20(3)17(23)26)22(11-19-15)10-13(24)9-21-6-4-18-5-7-21/h11-13,18,24H,4-10H2,1-3H3