8-(2-aminophenyl)sulfanyl-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(2-aminophenyl)sulfanyl-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 8-(2-aminophenyl)sulfanyl-1-benzyl-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(2-aminophenyl)thio]-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 8-(2-aminophenyl)sulfanyl-1-benzyl-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(2-aminophenyl)thio]-1-benzyl-3,7-dimethyl-xanthine Formula: C20H19N5O2S MolecularWeight: 393.46216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3N)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3N)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H19N5O2S/c1-23-16-17(22-19(23)28-15-11-7-6-10-14(15)21)24(2)20(27)25(18(16)26)12-13-8-4-3-5-9-13/h3-11H,12,21H2,1-2H3