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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(hexan-2-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(1-methylpentylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(hexan-2-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-3-(1-methylpentylamino)-6-phenyl-pyrazin-1-yl]acetamide Formula: C26H31ClN6O2 MolecularWeight: 495.01634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN6O2/c1-3-4-8-17(2)31-25-26(35)33(22(23(27)32-25)19-9-6-5-7-10-19)16-21(34)30-15-18-11-13-20(14-12-18)24(28)29/h5-7,9-14,17H,3-4,8,15-16H2,1-2H3,(H3,28,29)(H,30,34)(H,31,32)