7-[benzimidazol-1-yloxy(2-oxidanylpropyl)amino]-1-butyl-3-methyl-purine-2,6-dione

Systemtic Name: 7-[benzimidazol-1-yloxy(2-oxidanylpropyl)amino]-1-butyl-3-methyl-purine-2,6-dione Openeye Name: 7-[benzimidazol-1-yloxy(2-hydroxypropyl)amino]-1-butyl-3-methyl-purine-2,6-dione CAS Name: 7-[1-benzimidazolyloxy(2-hydroxypropyl)amino]-1-butyl-3-methylpurine-2,6-dione IUPAC Name: 7-[benzimidazol-1-yloxy(2-hydroxypropyl)amino]-1-butyl-3-methylpurine-2,6-dione Traditional Name: 7-[benzimidazol-1-yloxy(2-hydroxypropyl)amino]-1-butyl-3-methyl-xanthine Formula: C20H25N7O4 MolecularWeight: 427.457

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2N(CC(C)O)ON3C=NC4=CC=CC=C43)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2N(CC(C)O)ON3C=NC4=CC=CC=C43)N(C1=O)C

InChI

InChI=1S/C20H25N7O4/c1-4-5-10-24-19(29)17-18(23(3)20(24)30)22-12-25(17)27(11-14(2)28)31-26-13-21-15-8-6-7-9-16(15)26/h6-9,12-14,28H,4-5,10-11H2,1-3H3