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

Systemtic Name: 8-azanyl-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-amino-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 8-amino-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-amino-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-amino-7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2N)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C17H21N5O4/c1-3-10-5-4-6-12(7-10)26-9-11(23)8-22-13-14(19-16(22)18)21(2)17(25)20-15(13)24/h4-7,11,23H,3,8-9H2,1-2H3,(H2,18,19)(H,20,24,25)/t11-/m0/s1