1,3-dimethyl-7-(2-quinazolin-4-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-quinazolin-4-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-quinazolin-4-ylsulfanylethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-quinazolinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-quinazolin-4-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(quinazolin-4-ylthio)ethyl]xanthine Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C17H16N6O2S/c1-21-14-13(16(24)22(2)17(21)25)23(10-20-14)7-8-26-15-11-5-3-4-6-12(11)18-9-19-15/h3-6,9-10H,7-8H2,1-2H3