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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanylpropyl]-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-xanthine Formula: C16H19N5O3 MolecularWeight: 329.35376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N5O3/c1-10(22)9-21-12-13(20(2)16(24)19-14(12)23)18-15(21)17-8-11-6-4-3-5-7-11/h3-7,10,22H,8-9H2,1-2H3,(H,17,18)(H,19,23,24)/t10-/m1/s1