8-(ethenylamino)-1,3-dimethyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(ethenylamino)-1,3-dimethyl-7-[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(vinylamino)purine-2,6-dione CAS Name: 8-(ethenylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(ethenylamino)-7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-8-(vinylamino)xanthine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NC=C)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NC=C)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C19H23N5O4/c1-5-20-18-21-16-15(17(26)23(4)19(27)22(16)3)24(18)10-13(25)11-28-14-8-6-7-12(2)9-14/h5-9,13,25H,1,10-11H2,2-4H3,(H,20,21)/t13-/m0/s1