8-(4-aminophenyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-(4-aminophenyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-(4-aminophenyl)sulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(4-aminophenyl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-(4-aminophenyl)sulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(4-aminophenyl)thio]-1,3,7-trimethyl-xanthine Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=C(C=C3)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=C(C=C3)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H15N5O2S/c1-17-10-11(18(2)14(21)19(3)12(10)20)16-13(17)22-9-6-4-8(15)5-7-9/h4-7H,15H2,1-3H3