8-(dimethylamino)-3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-3-methyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2N(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C18H23N5O4/c1-11-6-5-7-13(8-11)27-10-12(24)9-23-14-15(19-17(23)21(2)3)22(4)18(26)20-16(14)25/h5-8,12,24H,9-10H2,1-4H3,(H,20,25,26)/t12-/m0/s1