1-[7-(dipropylamino)-4-methyl-4-oxidanyl-hept-5-ynyl]-3-ethyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[7-(dipropylamino)-4-methyl-4-oxidanyl-hept-5-ynyl]-3-ethyl-7-propyl-purine-2,6-dione Openeye Name: 1-[7-(dipropylamino)-4-hydroxy-4-methyl-hept-5-ynyl]-3-ethyl-7-propyl-purine-2,6-dione CAS Name: 1-[7-(dipropylamino)-4-hydroxy-4-methylhept-5-ynyl]-3-ethyl-7-propylpurine-2,6-dione IUPAC Name: 1-[7-(dipropylamino)-4-hydroxy-4-methylhept-5-ynyl]-3-ethyl-7-propylpurine-2,6-dione Traditional Name: 1-[7-(dipropylamino)-4-hydroxy-4-methyl-hept-5-ynyl]-3-ethyl-7-propyl-xanthine Formula: C24H39N5O3 MolecularWeight: 445.59816

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCC(C)(C#CCN(CCC)CCC)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCC(C)(C#CCN(CCC)CCC)O

InChI

InChI=1S/C24H39N5O3/c1-6-14-26(15-7-2)17-10-12-24(5,32)13-11-18-29-22(30)20-21(28(9-4)23(29)31)25-19-27(20)16-8-3/h19,32H,6-9,11,13-18H2,1-5H3