methyl 2-[6-azanyl-3-chloranyl-5-[(phenylmethyl)iminomethyl]pyrazin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[6-azanyl-3-chloranyl-5-[(phenylmethyl)iminomethyl]pyrazin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[6-amino-5-(benzyliminomethyl)-3-chloro-pyrazin-2-yl]sulfanylacetate CAS Name: 2-[[6-amino-3-chloro-5-[(phenylmethyl)iminomethyl]-2-pyrazinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[6-amino-5-(benzyliminomethyl)-3-chloropyrazin-2-yl]sulfanylacetate Traditional Name: 2-[[6-amino-5-(benzyliminomethyl)-3-chloro-pyrazin-2-yl]thio]acetic acid methyl ester Formula: C15H15ClN4O2S MolecularWeight: 350.8232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC(=C(N=C1Cl)C=NCC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CSC1=NC(=C(N=C1Cl)C=NCC2=CC=CC=C2)N

InChI

InChI=1S/C15H15ClN4O2S/c1-22-12(21)9-23-15-13(16)19-11(14(17)20-15)8-18-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H2,17,20)