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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C25H29ClN6O2/c1-3-7-16(2)30-24-25(34)32(21(22(26)31-24)18-8-5-4-6-9-18)15-20(33)29-14-17-10-12-19(13-11-17)23(27)28/h4-6,8-13,16H,3,7,14-15H2,1-2H3,(H3,27,28)(H,29,33)(H,30,31)