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7-hexadecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione

7-hexadecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione

Systemtic Name:7-hexadecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Openeye Name:7-hexadecyl-1,3-dimethyl-8-[(2-methyl-1-piperidyl)methyl]purine-2,6-dione
CAS Name:7-hexadecyl-1,3-dimethyl-8-[(2-methyl-1-piperidinyl)methyl]purine-2,6-dione
IUPAC Name:7-hexadecyl-1,3-dimethyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione
Traditional Name:7-cetyl-1,3-dimethyl-8-[(2-methylpiperidino)methyl]xanthine
Formula: C30H53N5O2
MolecularWeight: 515.77412
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C


Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCCC3C


InChI

InChI=1S/C30H53N5O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26(24-34-22-20-18-21-25(34)2)31-28-27(35)29(36)33(4)30(37)32(28)3/h25H,5-24H2,1-4H3


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