7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(methylamino)purine-2,6-dione

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)xanthine Formula: C16H18ClN5O4 MolecularWeight: 379.79822

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H18ClN5O4/c1-18-15-19-13-12(14(24)20-16(25)21(13)2)22(15)7-10(23)8-26-11-5-3-9(17)4-6-11/h3-6,10,23H,7-8H2,1-2H3,(H,18,19)(H,20,24,25)