1,3-bis(cyclopentylmethyl)-7-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 1,3-bis(cyclopentylmethyl)-7-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 1,3-bis(cyclopentylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione CAS Name: 1,3-bis(cyclopentylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione IUPAC Name: 1,3-bis(cyclopentylmethyl)-7-(2-hydroxypropyl)purine-2,6-dione Traditional Name: 1,3-bis(cyclopentylmethyl)-7-(2-hydroxypropyl)xanthine Formula: C20H30N4O3 MolecularWeight: 374.4772

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCC3)CC4CCCC4)O

Isomeric SMILES

CC(CN1C=NC2=C1C(=O)N(C(=O)N2CC3CCCC3)CC4CCCC4)O

InChI

InChI=1S/C20H30N4O3/c1-14(25)10-22-13-21-18-17(22)19(26)24(12-16-8-4-5-9-16)20(27)23(18)11-15-6-2-3-7-15/h13-16,25H,2-12H2,1H3