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

Systemtic Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine Openeye Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine CAS Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine IUPAC Name: 2-[6-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-oxo-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine Traditional Name: 2-[6-[(1,3-benzothiazol-2-ylthio)methyl]-4-keto-1H-pyrimidin-2-yl]-1-(4-methoxyphenyl)guanidine Formula: C20H18N6O2S2 MolecularWeight: 438.52592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2S2/c1-28-14-8-6-12(7-9-14)22-18(21)26-19-23-13(10-17(27)25-19)11-29-20-24-15-4-2-3-5-16(15)30-20/h2-10H,11H2,1H3,(H4,21,22,23,25,26,27)