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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanylpropyl]-8-(pyridin-3-ylmethylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(3-pyridylmethylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(3-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(pyridin-3-ylmethylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-(3-pyridylmethylamino)xanthine Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCC3=CN=CC=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H18N6O3/c1-9(22)8-21-11-12(20(2)15(24)19-13(11)23)18-14(21)17-7-10-4-3-5-16-6-10/h3-6,9,22H,7-8H2,1-2H3,(H,17,18)(H,19,23,24)/t9-/m1/s1