1-[8-(ethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[8-(ethylamino)-5-methyl-5-oxidanyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[8-(ethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[8-(ethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[8-(ethylamino)-5-hydroxy-5-methyloct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[8-(ethylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-xanthine Formula: C20H31N5O3 MolecularWeight: 389.49184

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCNCC)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C#CCNCC)O

InChI

InChI=1S/C20H31N5O3/c1-5-13-24-15-22-17-16(24)18(26)25(19(27)23(17)4)14-8-7-10-20(3,28)11-9-12-21-6-2/h15,21,28H,5-8,10,12-14H2,1-4H3