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

Systemtic Name: 1-[6-(dimethylamino)-3-methyl-3-oxidanyl-hex-4-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[6-(dimethylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[6-(dimethylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[6-(dimethylamino)-3-hydroxy-3-methylhex-4-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[6-(dimethylamino)-3-hydroxy-3-methyl-hex-4-ynyl]-3-methyl-7-propyl-xanthine Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)(C#CCN(C)C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCC(C)(C#CCN(C)C)O

InChI

InChI=1S/C18H27N5O3/c1-6-10-22-13-19-15-14(22)16(24)23(17(25)21(15)5)12-9-18(2,26)8-7-11-20(3)4/h13,26H,6,9-12H2,1-5H3