1,3-dimethyl-7-(3-methylbutyl)-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[[4-(phenylmethyl)piperidin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzyl-1-piperidyl)methyl]-7-isopentyl-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-[[4-(phenylmethyl)-1-piperidinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperidin-1-yl)methyl]-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 8-[(4-benzylpiperidino)methyl]-7-isoamyl-1,3-dimethyl-xanthine Formula: C25H35N5O2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O2/c1-18(2)10-15-30-21(26-23-22(30)24(31)28(4)25(32)27(23)3)17-29-13-11-20(12-14-29)16-19-8-6-5-7-9-19/h5-9,18,20H,10-17H2,1-4H3