1-[6-(dimethylamino)-3-methyl-3-oxidanyl-hex-4-ynyl]-3-ethyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[6-(dimethylamino)-3-methyl-3-oxidanyl-hex-4-ynyl]-3-ethyl-7-propyl-purine-2,6-dione Openeye Name: 1-[6-(dimethylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-ethyl-7-propyl-purine-2,6-dione CAS Name: 1-[6-(dimethylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-ethyl-7-propylpurine-2,6-dione IUPAC Name: 1-[6-(dimethylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-ethyl-7-propylpurine-2,6-dione Traditional Name: 1-[6-(dimethylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-ethyl-7-propyl-xanthine Formula: C19H29N5O3 MolecularWeight: 375.46526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3/c1-6-11-22-14-20-16-15(22)17(25)24(18(26)23(16)7-2)13-10-19(3,27)9-8-12-21(4)5/h14,27H,6-7,10-13H2,1-5H3