8-(7-chloranyl-1,3-benzodioxol-5-yl)-7-(2-morpholin-4-ylethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-(7-chloranyl-1,3-benzodioxol-5-yl)-7-(2-morpholin-4-ylethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-(7-chloro-1,3-benzodioxol-5-yl)-7-(2-morpholinoethyl)-3-propyl-purine-2,6-dione CAS Name: 8-(7-chloro-1,3-benzodioxol-5-yl)-7-[2-(4-morpholinyl)ethyl]-3-propylpurine-2,6-dione IUPAC Name: 8-(7-chloro-1,3-benzodioxol-5-yl)-7-(2-morpholin-4-ylethyl)-3-propylpurine-2,6-dione Traditional Name: 8-(7-chloro-1,3-benzodioxol-5-yl)-7-(2-morpholinoethyl)-3-propyl-xanthine Formula: C21H24ClN5O5 MolecularWeight: 461.89876

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C(=C3)Cl)OCO4)CCN5CCOCC5

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C(=C3)Cl)OCO4)CCN5CCOCC5

InChI

InChI=1S/C21H24ClN5O5/c1-2-3-27-19-16(20(28)24-21(27)29)26(5-4-25-6-8-30-9-7-25)18(23-19)13-10-14(22)17-15(11-13)31-12-32-17/h10-11H,2-9,12H2,1H3,(H,24,28,29)