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

Systemtic Name: 1,3-dimethyl-7-[3-[4-(2-oxidanylpropyl)-1,4-diazepan-1-yl]propyl]purine-2,6-dione Openeye Name: 7-[3-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(2-hydroxypropyl)-1,4-diazepan-1-yl]propyl]-1,3-dimethyl-xanthine Formula: C18H30N6O3 MolecularWeight: 378.4692

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CC(CN1CCCN(CC1)CCCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

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