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

Systemtic Name: 7-(3-methylbut-2-enyl)-8-piperazin-1-yl-3-propyl-purine-2,6-dione Openeye Name: 7-(3-methylbut-2-enyl)-8-piperazin-1-yl-3-propyl-purine-2,6-dione CAS Name: 7-(3-methylbut-2-enyl)-8-(1-piperazinyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(3-methylbut-2-enyl)-8-piperazin-1-yl-3-propylpurine-2,6-dione Traditional Name: 7-(3-methylbut-2-enyl)-8-piperazino-3-propyl-xanthine Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC=C(C)C

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCNCC3)CC=C(C)C

InChI

InChI=1S/C17H26N6O2/c1-4-8-23-14-13(15(24)20-17(23)25)22(9-5-12(2)3)16(19-14)21-10-6-18-7-11-21/h5,18H,4,6-11H2,1-3H3,(H,20,24,25)