7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2S)-2-oxidanylpropyl]amino]purine-2,6-dione

Systemtic Name: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-[[(2S)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-[(3-methoxyphenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-m-anisyl-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

C[C@@H](CNC1=NC2=C(N1CC3=CC(=CC=C3)OC)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C18H23N5O4/c1-11(24)9-19-17-20-15-14(16(25)22(3)18(26)21(15)2)23(17)10-12-6-5-7-13(8-12)27-4/h5-8,11,24H,9-10H2,1-4H3,(H,19,20)/t11-/m0/s1