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

Systemtic Name: 3,7-dimethyl-1-(3-pyridin-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2-pyridylsulfanyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-pyridinylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-pyridin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(2-pyridylthio)propyl]xanthine Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=CC=N3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=CC=CC=N3

InChI

InChI=1S/C15H17N5O2S/c1-18-10-17-13-12(18)14(21)20(15(22)19(13)2)8-5-9-23-11-6-3-4-7-16-11/h3-4,6-7,10H,5,8-9H2,1-2H3