4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Openeye Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide CAS Name: 4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Traditional Name: 4-(2-isopropyl-6-methyl-pyrimidin-4-yl)-N-(2-morpholin-4-ium-4-ylethyl)piperazine-1-carbothioamide Formula: C19H33N6OS+ MolecularWeight: 393.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H32N6OS/c1-15(2)18-21-16(3)14-17(22-18)24-6-8-25(9-7-24)19(27)20-4-5-23-10-12-26-13-11-23/h14-15H,4-13H2,1-3H3,(H,20,27)/p+1