6-(1-adamantylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(1-adamantylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(1-adamantylsulfanylmethyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-[(1-adamantylthio)methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(1-adamantylsulfanylmethyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-[(1-adamantylthio)methyl]-6-amino-s-triazin-2-yl]amine Formula: C14H21N5S MolecularWeight: 291.41504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C14H21N5S/c15-12-17-11(18-13(16)19-12)7-20-14-4-8-1-9(5-14)3-10(2-8)6-14/h8-10H,1-7H2,(H4,15,16,17,18,19)