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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloranyl-2-oxidanylidene-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)-1-pyrazinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-2-oxo-6-phenyl-3-(prop-2-ynylamino)pyrazin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[5-chloro-2-keto-6-phenyl-3-(propargylamino)pyrazin-1-yl]acetamide Formula: C23H21ClN6O2 MolecularWeight: 448.90484

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

Isomeric SMILES

C#CCNC1=NC(=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC=CC=C3)Cl

InChI

InChI=1S/C23H21ClN6O2/c1-2-12-27-22-23(32)30(19(20(24)29-22)16-6-4-3-5-7-16)14-18(31)28-13-15-8-10-17(11-9-15)21(25)26/h1,3-11H,12-14H2,(H3,25,26)(H,27,29)(H,28,31)