1,3-dimethyl-7-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]purine-2,6-dione Traditional Name: 7-[4-keto-4-(4-phenylpiperazino)butyl]-1,3-dimethyl-xanthine Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6O3/c1-23-19-18(20(29)24(2)21(23)30)27(15-22-19)10-6-9-17(28)26-13-11-25(12-14-26)16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3