1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(3-methylbutyl)thiourea

Systemtic Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(3-methylbutyl)thiourea Openeye Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-isopentyl-thiourea CAS Name: 1-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-(3-methylbutyl)thiourea IUPAC Name: 1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-(3-methylbutyl)thiourea Traditional Name: 1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-isoamyl-thiourea Formula: C16H27N5OS2 MolecularWeight: 369.54848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NNC(=S)NCCC(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NNC(=S)NCCC(C)C

InChI

InChI=1S/C16H27N5OS2/c1-10(2)8-9-17-15(23)21-20-14(22)7-6-13-11(3)18-16(24-5)19-12(13)4/h10H,6-9H2,1-5H3,(H,20,22)(H2,17,21,23)