1-(4-butoxyphenyl)-3-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)thiourea

Systemtic Name: 1-(4-butoxyphenyl)-3-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)thiourea Openeye Name: 1-(4-butoxyphenyl)-3-(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)thiourea CAS Name: 1-(4-butoxyphenyl)-3-[6-methyl-2-(methylthio)-4-pyrimidinyl]thiourea IUPAC Name: 1-(4-butoxyphenyl)-3-(6-methyl-2-methylsulfanylpyrimidin-4-yl)thiourea Traditional Name: 1-(4-butoxyphenyl)-3-[6-methyl-2-(methylthio)pyrimidin-4-yl]thiourea Formula: C17H22N4OS2 MolecularWeight: 362.51278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC2=NC(=NC(=C2)C)SC

InChI

InChI=1S/C17H22N4OS2/c1-4-5-10-22-14-8-6-13(7-9-14)19-16(23)20-15-11-12(2)18-17(21-15)24-3/h6-9,11H,4-5,10H2,1-3H3,(H2,18,19,20,21,23)