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

Systemtic Name: 1,3-dimethyl-7-[4-(2-phenylpiperidin-1-yl)butyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[4-(2-phenyl-1-piperidyl)butyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[4-(2-phenyl-1-piperidinyl)butyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[4-(2-phenylpiperidin-1-yl)butyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[4-(2-phenylpiperidino)butyl]xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCCCC3C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCCCC3C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-24-20-19(21(28)25(2)22(24)29)27(16-23-20)15-9-8-14-26-13-7-6-12-18(26)17-10-4-3-5-11-17/h3-5,10-11,16,18H,6-9,12-15H2,1-2H3