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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCNC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)C)O)C(=O)NC(=O)N2C

InChI

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