N-[4-azanyl-6-(cyclohexylamino)-2-methylsulfanyl-pyrimidin-5-yl]methanamide methanoate

Systemtic Name: N-[4-azanyl-6-(cyclohexylamino)-2-methylsulfanyl-pyrimidin-5-yl]methanamide methanoate Openeye Name: N-[4-amino-6-(cyclohexylamino)-2-methylsulfanyl-pyrimidin-5-yl]formamide formate CAS Name: N-[4-amino-6-(cyclohexylamino)-2-(methylthio)-5-pyrimidinyl]formamide formate IUPAC Name: N-[4-amino-6-(cyclohexylamino)-2-methylsulfanylpyrimidin-5-yl]formamide formate Traditional Name: N-[4-amino-6-(cyclohexylamino)-2-(methylthio)pyrimidin-5-yl]formamide formate Formula: C13H20N5O3S- MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)NC2CCCCC2)NC=O)N.C(=O)[O-]

Isomeric SMILES

CSC1=NC(=C(C(=N1)NC2CCCCC2)NC=O)N.C(=O)[O-]

InChI

InChI=1S/C12H19N5OS.CH2O2/c1-19-12-16-10(13)9(14-7-18)11(17-12)15-8-5-3-2-4-6-8;2-1-3/h7-8H,2-6H2,1H3,(H,14,18)(H3,13,15,16,17);1H,(H,2,3)/p-1