1-[5-(diethylamino)-2-methyl-2-oxidanyl-pent-3-ynyl]-3,7-dipropyl-purine-2,6-dione

Systemtic Name: 1-[5-(diethylamino)-2-methyl-2-oxidanyl-pent-3-ynyl]-3,7-dipropyl-purine-2,6-dione Openeye Name: 1-[5-(diethylamino)-2-hydroxy-2-methyl-pent-3-ynyl]-3,7-dipropyl-purine-2,6-dione CAS Name: 1-[5-(diethylamino)-2-hydroxy-2-methylpent-3-ynyl]-3,7-dipropylpurine-2,6-dione IUPAC Name: 1-[5-(diethylamino)-2-hydroxy-2-methylpent-3-ynyl]-3,7-dipropylpurine-2,6-dione Traditional Name: 1-[5-(diethylamino)-2-hydroxy-2-methyl-pent-3-ynyl]-3,7-dipropyl-xanthine Formula: C21H33N5O3 MolecularWeight: 403.51842

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(C)(C#CCN(CC)CC)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(C)(C#CCN(CC)CC)O

InChI

InChI=1S/C21H33N5O3/c1-6-12-24-16-22-18-17(24)19(27)26(20(28)25(18)13-7-2)15-21(5,29)11-10-14-23(8-3)9-4/h16,29H,6-9,12-15H2,1-5H3