7-ethyl-3-(phenylmethyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 7-ethyl-3-(phenylmethyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 3-benzyl-7-ethyl-1-[(2-phenylthiazol-4-yl)methyl]purine-2,6-dione CAS Name: 7-ethyl-3-(phenylmethyl)-1-[(2-phenyl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 3-benzyl-7-ethyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 3-benzyl-7-ethyl-1-[(2-phenylthiazol-4-yl)methyl]xanthine Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H21N5O2S/c1-2-27-16-25-21-20(27)23(30)29(24(31)28(21)13-17-9-5-3-6-10-17)14-19-15-32-22(26-19)18-11-7-4-8-12-18/h3-12,15-16H,2,13-14H2,1H3