1,7-dimethyl-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]-3H-purine-2,6-dione

Systemtic Name: 1,7-dimethyl-8-[[(2R)-2-oxidanyl-2-phenyl-ethyl]amino]-3H-purine-2,6-dione Openeye Name: 8-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-1,7-dimethyl-3H-purine-2,6-dione CAS Name: 8-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1,7-dimethyl-3H-purine-2,6-dione IUPAC Name: 8-[[(2R)-2-hydroxy-2-phenylethyl]amino]-1,7-dimethyl-3H-purine-2,6-dione Traditional Name: 8-[[(2R)-2-hydroxy-2-phenyl-ethyl]amino]-1,7-dimethyl-xanthine Formula: C15H17N5O3 MolecularWeight: 315.32718

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(NC(=O)N(C2=O)C)N=C1NCC(C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(NC(=O)N(C2=O)C)N=C1NC[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C15H17N5O3/c1-19-11-12(18-15(23)20(2)13(11)22)17-14(19)16-8-10(21)9-6-4-3-5-7-9/h3-7,10,21H,8H2,1-2H3,(H,16,17)(H,18,23)/t10-/m0/s1