3-methyl-7-(3-methylbutyl)-8-(4-methylpiperidin-1-yl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(4-methylpiperidino)xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H27N5O2/c1-11(2)5-10-22-13-14(20(4)17(24)19-15(13)23)18-16(22)21-8-6-12(3)7-9-21/h11-12H,5-10H2,1-4H3,(H,19,23,24)