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

Systemtic Name: 2-[3-(1-adamantylamino)-5-chloranyl-2-oxidanylidene-6-phenyl-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-pyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenyl-1-pyrazinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(1-adamantylamino)-5-chloro-2-oxo-6-phenylpyrazin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: 2-[3-(1-adamantylamino)-5-chloro-2-keto-6-phenyl-pyrazin-1-yl]-N-(4-amidinobenzyl)acetamide Formula: C30H33ClN6O2 MolecularWeight: 545.07502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)NCC5=CC=C(C=C5)C(=N)N)C6=CC=CC=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC(=C(N(C4=O)CC(=O)NCC5=CC=C(C=C5)C(=N)N)C6=CC=CC=C6)Cl

InChI

InChI=1S/C30H33ClN6O2/c31-26-25(22-4-2-1-3-5-22)37(17-24(38)34-16-18-6-8-23(9-7-18)27(32)33)29(39)28(35-26)36-30-13-19-10-20(14-30)12-21(11-19)15-30/h1-9,19-21H,10-17H2,(H3,32,33)(H,34,38)(H,35,36)