1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]thiourea Traditional Name: 1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-piperonyl-thiourea Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C15H17N5O2S/c1-9-5-10(2)18-14(17-9)19-20-15(23)16-7-11-3-4-12-13(6-11)22-8-21-12/h3-6H,7-8H2,1-2H3,(H2,16,20,23)(H,17,18,19)