1,3-dimethyl-7-[(2R)-2-oxidanylpropyl]-8-(pyridin-3-ylmethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(2R)-2-oxidanylpropyl]-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-1,3-dimethyl-8-(3-pyridylmethylamino)xanthine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)N(C2=O)C)C)O

InChI

InChI=1S/C16H20N6O3/c1-10(23)9-22-12-13(20(2)16(25)21(3)14(12)24)19-15(22)18-8-11-5-4-6-17-7-11/h4-7,10,23H,8-9H2,1-3H3,(H,18,19)/t10-/m1/s1