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

Systemtic Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[4-[4-(2-pyrimidyl)piperazino]butyl]xanthine Formula: C19H26N8O2 MolecularWeight: 398.46214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H26N8O2/c1-23-14-22-16-15(23)17(28)27(19(29)24(16)2)9-4-3-8-25-10-12-26(13-11-25)18-20-6-5-7-21-18/h5-7,14H,3-4,8-13H2,1-2H3