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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-3-(pentan-3-ylamino)-6-phenyl-pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(1-ethylpropylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(pentan-3-ylamino)-6-phenyl-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-3-(pentan-3-ylamino)-6-phenylpyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-3-(1-ethylpropylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetamide Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(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/C25H29ClN6O2/c1-3-19(4-2)30-24-25(34)32(21(22(26)31-24)17-8-6-5-7-9-17)15-20(33)29-14-16-10-12-18(13-11-16)23(27)28/h5-13,19H,3-4,14-15H2,1-2H3,(H3,27,28)(H,29,33)(H,30,31)