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

Systemtic Name: 1-[5-(diethylamino)-2-methyl-2-oxidanyl-pent-3-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[5-(diethylamino)-2-hydroxy-2-methyl-pent-3-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[5-(diethylamino)-2-hydroxy-2-methylpent-3-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[5-(diethylamino)-2-hydroxy-2-methylpent-3-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[5-(diethylamino)-2-hydroxy-2-methyl-pent-3-ynyl]-3-methyl-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)N2C)CC(C)(C#CCN(CC)CC)O

Isomeric SMILES

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

InChI

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