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

Systemtic Name: 8-diazanyl-7-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-purine-2,6-dione CAS Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione IUPAC Name: 7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-8-hydrazinyl-3-methylpurine-2,6-dione Traditional Name: 7-[3-(4-ethylphenoxy)-2-hydroxy-propyl]-8-hydrazino-3-methyl-xanthine Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NN)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C17H22N6O4/c1-3-10-4-6-12(7-5-10)27-9-11(24)8-23-13-14(19-16(23)21-18)22(2)17(26)20-15(13)25/h4-7,11,24H,3,8-9,18H2,1-2H3,(H,19,21)(H,20,25,26)