4-[[1-(3-ethoxypropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-octylsulfanyl-pyrimidine-2-carboxylic acid

Systemtic Name: 4-[[1-(3-ethoxypropylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-6-octylsulfanyl-pyrimidine-2-carboxylic acid Openeye Name: 4-[[1-(3-ethoxypropylcarbamoyl)-3-methyl-butyl]amino]-6-octylsulfanyl-pyrimidine-2-carboxylic acid CAS Name: 4-[[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]amino]-6-(octylthio)-2-pyrimidinecarboxylic acid IUPAC Name: 4-[[1-(3-ethoxypropylamino)-4-methyl-1-oxopentan-2-yl]amino]-6-octylsulfanylpyrimidine-2-carboxylic acid Traditional Name: 4-[[1-(3-ethoxypropylcarbamoyl)-3-methyl-butyl]amino]-6-(octylthio)pyrimidine-2-carboxylic acid Formula: C24H42N4O4S MolecularWeight: 482.67968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC(=NC(=C1)NC(CC(C)C)C(=O)NCCCOCC)C(=O)O

Isomeric SMILES

CCCCCCCCSC1=NC(=NC(=C1)NC(CC(C)C)C(=O)NCCCOCC)C(=O)O

InChI

InChI=1S/C24H42N4O4S/c1-5-7-8-9-10-11-15-33-21-17-20(27-22(28-21)24(30)31)26-19(16-18(3)4)23(29)25-13-12-14-32-6-2/h17-19H,5-16H2,1-4H3,(H,25,29)(H,30,31)(H,26,27,28)