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

Systemtic Name: 7-[(2S)-3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[(2S)-3-(4-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(methylamino)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NC)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2NC)N(C(=O)NC3=O)C)O

InChI

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