1,3-dimethyl-8-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(1R,2R)-2-oxidanylcyclopentyl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-1,3-dimethyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N[C@@H]3CCC[C@H]3O)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N5O3/c1-22-16-15(17(26)23(2)19(22)27)24(11-12-7-4-3-5-8-12)18(21-16)20-13-9-6-10-14(13)25/h3-5,7-8,13-14,25H,6,9-11H2,1-2H3,(H,20,21)/t13-,14-/m1/s1