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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(octan-3-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(1-ethylhexylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(octan-3-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(1-ethylhexylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C28H35ClN6O2 MolecularWeight: 523.0695

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCC(CC)NC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C28H35ClN6O2/c1-3-5-7-12-22(4-2)33-27-28(37)35(24(25(29)34-27)20-10-8-6-9-11-20)18-23(36)32-17-19-13-15-21(16-14-19)26(30)31/h6,8-11,13-16,22H,3-5,7,12,17-18H2,1-2H3,(H3,30,31)(H,32,36)(H,33,34)