1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one
CAS Registry Number®
4869-70-9
No image available.
CAS Name
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-oneMolecular Formula
C12H18N4OS2Molecular Mass
298.43Cite this Page
1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4869-70-9 (retrieved ) (CAS RN: 4869-70-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C12H18N4OS2/c1-4-5-6-7-19-11-13-8-9(14-11)15(2)12(18)16(3)10(8)17/h4-7H2,1-3H3,(H,13,14)
InChIKey
InChIKey=AYOOHXCZCYWXBB-UHFFFAOYSA-N
SMILES
O=C1C2=C(N(C)C(=S)N1C)N=C(SCCCCC)N2
Canonical SMILES
O=C1C=2NC(=NC2N(C(=S)N1C)C)SCCCCC
Other Names for this Substance
- 6H-Purin-6-one, 1,2,3,9-tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-
- Theophylline, 8-(pentylthio)-2-thio-
- 1,2,3,9-Tetrahydro-1,3-dimethyl-8-(pentylthio)-2-thioxo-6H-purin-6-one
- NSC 95892
- 1,3-Dimethyl-8-pentylsulfanyl-2-sulfanylidene-7H-purin-6-one
