1-[5-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanyl-oct-6-ynyl]-3,7-dipropyl-purine-2,6-dione

Systemtic Name: 1-[5-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanyl-oct-6-ynyl]-3,7-dipropyl-purine-2,6-dione Openeye Name: 1-[5-hydroxy-5-methyl-8-(4-methylpiperazin-1-yl)oct-6-ynyl]-3,7-dipropyl-purine-2,6-dione CAS Name: 1-[5-hydroxy-5-methyl-8-(4-methyl-1-piperazinyl)oct-6-ynyl]-3,7-dipropylpurine-2,6-dione IUPAC Name: 1-[5-hydroxy-5-methyl-8-(4-methylpiperazin-1-yl)oct-6-ynyl]-3,7-dipropylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-5-methyl-8-(4-methylpiperazino)oct-6-ynyl]-3,7-dipropyl-xanthine Formula: C25H40N6O3 MolecularWeight: 472.6235

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CCCCC(C)(C#CCN3CCN(CC3)C)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CCCCC(C)(C#CCN3CCN(CC3)C)O

InChI

InChI=1S/C25H40N6O3/c1-5-12-29-20-26-22-21(29)23(32)31(24(33)30(22)13-6-2)15-8-7-10-25(3,34)11-9-14-28-18-16-27(4)17-19-28/h20,34H,5-8,10,12-19H2,1-4H3