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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=CC=C4

InChI

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