2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine Formula: C21H18N6O3S2 MolecularWeight: 466.53602

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=NC3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N/C(=N/C3=NC(=O)C=C(N3)CSC4=NC5=CC=CC=C5S4)/N

InChI

InChI=1S/C21H18N6O3S2/c22-19(23-12-5-6-15-16(9-12)30-8-7-29-15)27-20-24-13(10-18(28)26-20)11-31-21-25-14-3-1-2-4-17(14)32-21/h1-6,9-10H,7-8,11H2,(H4,22,23,24,26,27,28)