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

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-methylpiperidin-1-yl)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(4-methyl-1-piperidyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-methyl-1-piperidinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(4-methylpiperidin-1-yl)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(4-methylpiperidino)xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2/c1-12(2)6-11-23-14-15(20(4)18(25)21(5)16(14)24)19-17(23)22-9-7-13(3)8-10-22/h12-13H,6-11H2,1-5H3