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

Systemtic Name: 8-diazanyl-7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-1,3-dimethyl-xanthine Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NN)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C18H24N6O4/c1-4-11-6-5-7-13(8-11)28-10-12(25)9-24-14-15(20-17(24)21-19)22(2)18(27)23(3)16(14)26/h5-8,12,25H,4,9-10,19H2,1-3H3,(H,20,21)/t12-/m0/s1