1-methyl-9-(3-oxidanylpropyl)-8-phenyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-9-(3-oxidanylpropyl)-8-phenyl-3H-purine-2,6-dione Openeye Name: 9-(3-hydroxypropyl)-1-methyl-8-phenyl-3H-purine-2,6-dione CAS Name: 9-(3-hydroxypropyl)-1-methyl-8-phenyl-3H-purine-2,6-dione IUPAC Name: 9-(3-hydroxypropyl)-1-methyl-8-phenyl-3H-purine-2,6-dione Traditional Name: 9-(3-hydroxypropyl)-1-methyl-8-phenyl-xanthine Formula: C15H16N4O3 MolecularWeight: 300.31254

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCCO

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=CC=C3)CCCO

InChI

InChI=1S/C15H16N4O3/c1-18-14(21)11-13(17-15(18)22)19(8-5-9-20)12(16-11)10-6-3-2-4-7-10/h2-4,6-7,20H,5,8-9H2,1H3,(H,17,22)