1,3-dimethyl-7-(phenylmethyl)-8-(thiophen-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(thiophen-2-ylmethylamino)purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-(2-thienylmethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(thiophen-2-ylmethylamino)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(thiophen-2-ylmethylamino)purine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-(2-thenylamino)xanthine Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2S/c1-22-16-15(17(25)23(2)19(22)26)24(12-13-7-4-3-5-8-13)18(21-16)20-11-14-9-6-10-27-14/h3-10H,11-12H2,1-2H3,(H,20,21)