1-(1,3-benzodioxol-5-ylmethylidene)-3-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylidene)-3-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethylene)-3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethylidene)-3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylidene)-3-(6-methyl-4-oxo-1H-pyrimidin-2-yl)thiourea Traditional Name: 1-(4-keto-6-methyl-1H-pyrimidin-2-yl)-3-piperonylidene-thiourea Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)NC(=S)N=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=O)N=C(N1)NC(=S)N=CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H12N4O3S/c1-8-4-12(19)17-13(16-8)18-14(22)15-6-9-2-3-10-11(5-9)21-7-20-10/h2-6H,7H2,1H3,(H2,16,17,18,19,22)