3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide Openeye Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-(5-spiro[1,3-benzodioxole-2,1'-cyclohexane]yl)propanamide IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide Traditional Name: 3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC3=C(C=C2)OC4(O3)CCCCC4

InChI

InChI=1S/C21H25N3O4S/c1-13-15(19(26)24-20(22-13)29-2)7-9-18(25)23-14-6-8-16-17(12-14)28-21(27-16)10-4-3-5-11-21/h6,8,12H,3-5,7,9-11H2,1-2H3,(H,23,25)(H,22,24,26)