7-[3-(4-butylpiperazin-1-yl)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(4-butylpiperazin-1-yl)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(4-butylpiperazin-1-yl)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(4-butyl-1-piperazinyl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(4-butylpiperazin-1-yl)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(4-butylpiperazino)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H30N6O3 MolecularWeight: 378.4692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CCCCN1CCN(CC1)CC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C18H30N6O3/c1-4-5-6-22-7-9-23(10-8-22)11-14(25)12-24-13-19-16-15(24)17(26)21(3)18(27)20(16)2/h13-14,25H,4-12H2,1-3H3