1-[3-(3-ethylpiperidin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-(3-ethylpiperidin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3-ethyl-1-piperidyl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(3-ethyl-1-piperidinyl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3-ethylpiperidin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(3-ethylpiperidino)propyl]-3,7-dimethyl-xanthine Formula: C17H27N5O2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCN(C1)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC1CCCN(C1)CCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

InChI=1S/C17H27N5O2/c1-4-13-7-5-8-21(11-13)9-6-10-22-16(23)14-15(18-12-19(14)2)20(3)17(22)24/h12-13H,4-11H2,1-3H3