N-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]adamantane-1-carboxamide; ethanesulfonate

Systemtic Name: N-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]adamantane-1-carboxamide; ethanesulfonate Openeye Name: N-(2,4-diamino-6-methyl-pyrimidin-5-yl)adamantane-1-carboxamide; ethanesulfonate CAS Name: N-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-adamantanecarboxamide; ethanesulfonate IUPAC Name: N-(2,4-diamino-6-methylpyrimidin-5-yl)adamantane-1-carboxamide; ethanesulfonate Traditional Name: N-(2,4-diamino-6-methyl-pyrimidin-5-yl)adamantane-1-carboxamide esylate Formula: C18H28N5O4S- MolecularWeight: 410.51102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O.C2H6O3S/c1-8-12(13(17)21-15(18)19-8)20-14(22)16-5-9-2-10(6-16)4-11(3-9)7-16;1-2-6(3,4)5/h9-11H,2-7H2,1H3,(H,20,22)(H4,17,18,19,21);2H2,1H3,(H,3,4,5)/p-1