4-[[[3-chloranyl-2-methyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide

Systemtic Name: 4-[[[3-chloranyl-2-methyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Openeye Name: 4-[[[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]methylsulfonylamino]methyl]benzamidine CAS Name: 4-[[[3-chloro-2-methyl-6-oxo-5-(phenethylamino)-1-pyrazinyl]methylsulfonylamino]methyl]benzenecarboximidamide IUPAC Name: 4-[[[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]methylsulfonylamino]methyl]benzenecarboximidamide Traditional Name: 4-[[[5-chloro-2-keto-6-methyl-3-(phenethylamino)pyrazin-1-yl]methylsulfonylamino]methyl]benzamidine Formula: C22H25ClN6O3S MolecularWeight: 488.9903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CS(=O)(=O)NCC2=CC=C(C=C2)C(=N)N)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CS(=O)(=O)NCC2=CC=C(C=C2)C(=N)N)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H25ClN6O3S/c1-15-19(23)28-21(26-12-11-16-5-3-2-4-6-16)22(30)29(15)14-33(31,32)27-13-17-7-9-18(10-8-17)20(24)25/h2-10,27H,11-14H2,1H3,(H3,24,25)(H,26,28)