8-azanyl-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-azanyl-7-[(2S)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-amino-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-amino-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-amino-7-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-1,3-dimethyl-xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(CN2C3=C(N=C2N)N(C(=O)N(C3=O)C)C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC[C@H](CN2C3=C(N=C2N)N(C(=O)N(C3=O)C)C)O)C

InChI

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