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

Systemtic Name: 3-methyl-1-[5-methyl-5-oxidanyl-8-(pentan-3-ylamino)oct-6-ynyl]-7-propyl-purine-2,6-dione Openeye Name: 1-[8-(1-ethylpropylamino)-5-hydroxy-5-methyl-oct-6-ynyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-5-methyl-8-(pentan-3-ylamino)oct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-5-methyl-8-(pentan-3-ylamino)oct-6-ynyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[8-(1-ethylpropylamino)-5-hydroxy-5-methyl-oct-6-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)CCCCC(C)(C#CCNC(CC)CC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H37N5O3/c1-6-15-27-17-25-20-19(27)21(29)28(22(30)26(20)5)16-10-9-12-23(4,31)13-11-14-24-18(7-2)8-3/h17-18,24,31H,6-10,12,14-16H2,1-5H3