1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(4-methyl-1-piperazinyl)methyl]-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-[(4-methylpiperazino)methyl]-7-propyl-xanthine Formula: C16H26N6O2 MolecularWeight: 334.41664

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

Isomeric SMILES

CCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C

InChI

InChI=1S/C16H26N6O2/c1-5-6-22-12(11-21-9-7-18(2)8-10-21)17-14-13(22)15(23)20(4)16(24)19(14)3/h5-11H2,1-4H3