4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile

4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile is the PubChem title associated with CAS 770-30-9. The CAS maps to one record, CID 295757, with molecular formula C6H6N4S. PubChem and the page report SMILES CSC1=NC=C(C(=N1)N)C#N, InChI InChI=1S/C6H6N4S/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10), and InChIKey VYDHBDPZNLVELI-UHFFFAOYSA-N. Exact agreement across those fields closes the chemical identity.

The pyrimidine ring contains two ring nitrogen atoms, while an amino group is attached at position 4. Position 2 carries a methylsulfanyl substituent, represented at the beginning of the SMILES as a methyl carbon bonded through sulfur to the ring. The carbonitrile group at position 5 contributes one carbon and one additional nitrogen. Together with the exocyclic amino nitrogen, these features account for the four nitrogen atoms in C6H6N4S and define one neutral connected structure.

An enquiry concerning this record should retain the amino, methylsulfanyl, and carbonitrile locants in the submitted name. CAS 770-30-9 provides the primary lookup, while CID 295757 or InChIKey VYDHBDPZNLVELI-UHFFFAOYSA-N supports comparison with an uploaded structure file. The sulfur-linked methyl group and the carbonitrile carbon appear as separate branches in the graph and should not be merged into another naming fragment. Rlavie can check the exact heteroatom and substituent arrangement before providing information specific to that request. This identifier set does not authorize broader interpretations based on an incomplete pyrimidine phrase.