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

Systemtic Name: 1-(4-butoxyphenyl)-3-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)thiourea Openeye Name: 1-(4-butoxyphenyl)-3-(2-butylsulfanyl-6-methyl-pyrimidin-4-yl)thiourea CAS Name: 1-(4-butoxyphenyl)-3-[2-(butylthio)-6-methyl-4-pyrimidinyl]thiourea IUPAC Name: 1-(4-butoxyphenyl)-3-(2-butylsulfanyl-6-methylpyrimidin-4-yl)thiourea Traditional Name: 1-(4-butoxyphenyl)-3-[2-(butylthio)-6-methyl-pyrimidin-4-yl]thiourea Formula: C20H28N4OS2 MolecularWeight: 404.59252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4OS2/c1-4-6-12-25-17-10-8-16(9-11-17)22-19(26)23-18-14-15(3)21-20(24-18)27-13-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3,(H2,21,22,23,24,26)