2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(3,5-dimethoxyphenyl)guanidine Formula: C21H20N6O3S2 MolecularWeight: 468.5519

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=NC2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N/C(=N/C2=NC(=O)C=C(N2)CSC3=NC4=CC=CC=C4S3)/N)OC

InChI

InChI=1S/C21H20N6O3S2/c1-29-14-7-12(8-15(10-14)30-2)23-19(22)27-20-24-13(9-18(28)26-20)11-31-21-25-16-5-3-4-6-17(16)32-21/h3-10H,11H2,1-2H3,(H4,22,23,24,26,27,28)