3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propyl-purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-1-propylpurine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-yl-1-propylpurine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-8-piperazino-1-propyl-xanthine Formula: C18H28N6O2 MolecularWeight: 360.45392

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC=C(C)C)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C18H28N6O2/c1-5-9-24-16(25)14-15(21(4)18(24)26)20-17(22-11-7-19-8-12-22)23(14)10-6-13(2)3/h6,19H,5,7-12H2,1-4H3