N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(methylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(methylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(methylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(methylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(methylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-3-(methylamino)-6-phenyl-pyrazin-1-yl]acetamide Formula: C21H21ClN6O2 MolecularWeight: 424.88344

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CNC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H21ClN6O2/c1-25-20-21(30)28(17(18(22)27-20)14-5-3-2-4-6-14)12-16(29)26-11-13-7-9-15(10-8-13)19(23)24/h2-10H,11-12H2,1H3,(H3,23,24)(H,25,27)(H,26,29)