1-(1,3-benzodioxol-5-yl)-3-(4-methylpyrimidin-2-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyrimidin-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyrimidin-2-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyrimidinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyrimidin-2-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyrimidin-2-yl)thiourea Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=NC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H12N4O2S/c1-8-4-5-14-12(15-8)17-13(20)16-9-2-3-10-11(6-9)19-7-18-10/h2-6H,7H2,1H3,(H2,14,15,16,17,20)