7-ethyl-3-(phenylmethyl)-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-(phenylmethyl)-1-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-3-(phenylmethyl)-1-[(1-propyl-5-tetrazolyl)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(1-propyltetrazol-5-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(1-propyltetrazol-5-yl)methyl]xanthine Formula: C19H22N8O2 MolecularWeight: 394.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=NN=N1)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N8O2/c1-3-10-27-15(21-22-23-27)12-26-18(28)16-17(20-13-24(16)4-2)25(19(26)29)11-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3