3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide CAS Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]propionamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2(CCCCC2)[NH+]3CCOCC3

InChI

InChI=1S/C19H30N4O3S/c1-14-15(17(25)22-18(27)21-14)5-6-16(24)20-13-19(7-3-2-4-8-19)23-9-11-26-12-10-23/h2-13H2,1H3,(H,20,24)(H2,21,22,25,27)/p+1