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

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-phenyl-guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-phenyl-guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-phenylguanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-phenyl-guanidine Formula: C19H16N6OS2 MolecularWeight: 408.49994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6OS2/c20-17(21-12-6-2-1-3-7-12)25-18-22-13(10-16(26)24-18)11-27-19-23-14-8-4-5-9-15(14)28-19/h1-10H,11H2,(H4,20,21,22,24,25,26)