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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-3-(heptan-4-ylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(heptan-4-ylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-6-phenyl-3-(1-propylbutylamino)pyrazin-1-yl]acetamide Formula: C27H33ClN6O2 MolecularWeight: 509.04292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN6O2/c1-3-8-21(9-4-2)32-26-27(36)34(23(24(28)33-26)19-10-6-5-7-11-19)17-22(35)31-16-18-12-14-20(15-13-18)25(29)30/h5-7,10-15,21H,3-4,8-9,16-17H2,1-2H3,(H3,29,30)(H,31,35)(H,32,33)