1-(4-butylphenyl)-3-(4-methylpyrimidin-2-yl)thiourea

Systemtic Name: 1-(4-butylphenyl)-3-(4-methylpyrimidin-2-yl)thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-methylpyrimidin-2-yl)thiourea CAS Name: 1-(4-butylphenyl)-3-(4-methyl-2-pyrimidinyl)thiourea IUPAC Name: 1-(4-butylphenyl)-3-(4-methylpyrimidin-2-yl)thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-methylpyrimidin-2-yl)thiourea Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=NC=CC(=N2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NC=CC(=N2)C

InChI

InChI=1S/C16H20N4S/c1-3-4-5-13-6-8-14(9-7-13)19-16(21)20-15-17-11-10-12(2)18-15/h6-11H,3-5H2,1-2H3,(H2,17,18,19,20,21)