8-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione

Systemtic Name: 8-[(1-ethyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione Openeye Name: 8-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-7-(2-methoxyethyl)-3-propyl-purine-2,6-dione CAS Name: 8-[[(1-ethyl-5-tetrazolyl)thio]methyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione IUPAC Name: 8-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-7-(2-methoxyethyl)-3-propylpurine-2,6-dione Traditional Name: 8-[[(1-ethyltetrazol-5-yl)thio]methyl]-7-(2-methoxyethyl)-3-propyl-xanthine Formula: C15H22N8O3S MolecularWeight: 394.45198

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3CC)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)CSC3=NN=NN3CC)CCOC

InChI

InChI=1S/C15H22N8O3S/c1-4-6-22-12-11(13(24)17-14(22)25)21(7-8-26-3)10(16-12)9-27-15-18-19-20-23(15)5-2/h4-9H2,1-3H3,(H,17,24,25)