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

Systemtic Name: 7-heptyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-heptyl-1,3-dimethyl-8-[(3-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-[(3-methyl-1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 7-heptyl-1,3-dimethyl-8-[(3-methylpiperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-heptyl-1,3-dimethyl-8-[(3-methylpiperidino)methyl]xanthine Formula: C21H35N5O2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC(C3)C

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCCC(C3)C

InChI

InChI=1S/C21H35N5O2/c1-5-6-7-8-9-13-26-17(15-25-12-10-11-16(2)14-25)22-19-18(26)20(27)24(4)21(28)23(19)3/h16H,5-15H2,1-4H3