1-[9-(diethylamino)-6-methyl-6-oxidanyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[9-(diethylamino)-6-methyl-6-oxidanyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[9-(diethylamino)-6-hydroxy-6-methyl-non-7-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[9-(diethylamino)-6-hydroxy-6-methylnon-7-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[9-(diethylamino)-6-hydroxy-6-methylnon-7-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[9-(diethylamino)-6-hydroxy-6-methyl-non-7-ynyl]-3-methyl-7-propyl-xanthine Formula: C23H37N5O3 MolecularWeight: 431.57158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O3/c1-6-15-27-18-24-20-19(27)21(29)28(22(30)25(20)5)17-11-9-10-13-23(4,31)14-12-16-26(7-2)8-3/h18,31H,6-11,13,15-17H2,1-5H3