5-(1-adamantyl)-6-methyl-pyrimidine-2,4-diamine; ethanesulfonic acid

Systemtic Name: 5-(1-adamantyl)-6-methyl-pyrimidine-2,4-diamine; ethanesulfonic acid Openeye Name: 5-(1-adamantyl)-6-methyl-pyrimidine-2,4-diamine; ethanesulfonic acid CAS Name: 5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine; ethanesulfonic acid IUPAC Name: 5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine; ethanesulfonic acid Traditional Name: [5-(1-adamantyl)-2-amino-6-methyl-pyrimidin-4-yl]amine; esylic acid Formula: C17H28N4O3S MolecularWeight: 368.49422

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCS(=O)(=O)O.CC1=C(C(=NC(=N1)N)N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C15H22N4.C2H6O3S/c1-8-12(13(16)19-14(17)18-8)15-5-9-2-10(6-15)4-11(3-9)7-15;1-2-6(3,4)5/h9-11H,2-7H2,1H3,(H4,16,17,18,19);2H2,1H3,(H,3,4,5)