8-[4-(phenylcarbonyl)piperazin-1-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[4-(phenylcarbonyl)piperazin-1-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-(4-benzoyl-1-piperazinyl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-(4-benzoylpiperazin-1-yl)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-(4-benzoylpiperazino)-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H30N6O3/c1-3-10-27-18-17(20(30)28(11-4-2)22(27)31)23-21(24-18)26-14-12-25(13-15-26)19(29)16-8-6-5-7-9-16/h5-9,17-18H,3-4,10-15H2,1-2H3,(H,23,24)