3,7-dimethyl-8-[[(2S)-oxolan-2-yl]methylamino]-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[[(2S)-oxolan-2-yl]methylamino]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-3,7-dimethyl-8-[[(2S)-tetrahydrofuran-2-yl]methylamino]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[[(2S)-2-oxolanyl]methylamino]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-[[(2S)-oxolan-2-yl]methylamino]purine-2,6-dione Traditional Name: 1-benzyl-3,7-dimethyl-8-[[(2S)-tetrahydrofuran-2-yl]methylamino]xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3CCCO3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NC[C@@H]3CCCO3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C19H23N5O3/c1-22-15-16(21-18(22)20-11-14-9-6-10-27-14)23(2)19(26)24(17(15)25)12-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,20,21)/t14-/m0/s1