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

Systemtic Name: 3,7-dimethyl-1-(3-quinazolin-4-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(3-quinazolin-4-ylsulfanylpropyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(4-quinazolinylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-quinazolin-4-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(quinazolin-4-ylthio)propyl]xanthine Formula: C18H18N6O2S MolecularWeight: 382.43952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C18H18N6O2S/c1-22-11-21-15-14(22)17(25)24(18(26)23(15)2)8-5-9-27-16-12-6-3-4-7-13(12)19-10-20-16/h3-4,6-7,10-11H,5,8-9H2,1-2H3