8-acridin-9-ylsulfanyl-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-acridin-9-ylsulfanyl-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-acridin-9-ylsulfanyl-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-(9-acridinylthio)-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-acridin-9-ylsulfanyl-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-(acridin-9-ylthio)-1,3,7-trimethyl-xanthine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=C4C=CC=CC4=NC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=C4C=CC=CC4=NC5=CC=CC=C53)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H17N5O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17-12-8-4-6-10-14(12)22-15-11-7-5-9-13(15)17/h4-11H,1-3H3