1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]-9H-purine-2,6,8-trione

Systemtic Name: 1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]-9H-purine-2,6,8-trione Openeye Name: 1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]-9H-purine-2,6,8-trione CAS Name: 1,3-dimethyl-7-[4-(4-phenyl-1-piperazinyl)butyl]-9H-purine-2,6,8-trione IUPAC Name: 1,3-dimethyl-7-[4-(4-phenylpiperazin-1-yl)butyl]-9H-purine-2,6,8-trione Traditional Name: 1,3-dimethyl-7-[4-(4-phenylpiperazino)butyl]-9H-purine-2,6,8-trione Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CCCCN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CCCCN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6O3/c1-23-18-17(19(28)24(2)21(23)30)27(20(29)22-18)11-7-6-10-25-12-14-26(15-13-25)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3,(H,22,29)