1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)-8-(propylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-oxidanyl-2-phenyl-ethyl)-8-(propylamino)purine-2,6-dione Openeye Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione CAS Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-(2-hydroxy-2-phenyl-ethyl)-1,3-dimethyl-8-(propylamino)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H23N5O3/c1-4-10-19-17-20-15-14(16(25)22(3)18(26)21(15)2)23(17)11-13(24)12-8-6-5-7-9-12/h5-9,13,24H,4,10-11H2,1-3H3,(H,19,20)