1,3-dimethyl-7-[3-[methyl(phenyl)amino]-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[methyl(phenyl)amino]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(N-methylanilino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(N-methylanilino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(N-methylanilino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(N-methylanilino)propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=CC=CC=C3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)C3=CC=CC=C3)O

InChI

InChI=1S/C17H21N5O3/c1-19(12-7-5-4-6-8-12)9-13(23)10-22-11-18-15-14(22)16(24)21(3)17(25)20(15)2/h4-8,11,13,23H,9-10H2,1-3H3