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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(cyclohexylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(cyclohexylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(cyclohexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C26H29ClN6O2 MolecularWeight: 493.00046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCC(CC1)NC2=NC(=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C26H29ClN6O2/c27-23-22(18-7-3-1-4-8-18)33(26(35)25(32-23)31-20-9-5-2-6-10-20)16-21(34)30-15-17-11-13-19(14-12-17)24(28)29/h1,3-4,7-8,11-14,20H,2,5-6,9-10,15-16H2,(H3,28,29)(H,30,34)(H,31,32)