(6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloranyl-8,8-dimethyl-3-(2-methylpropylamino)-4-oxidanylidene-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide

Systemtic Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloranyl-8,8-dimethyl-3-(2-methylpropylamino)-4-oxidanylidene-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Openeye Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-(isobutylamino)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide CAS Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-8,8-dimethyl-3-(2-methylpropylamino)-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide IUPAC Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-8,8-dimethyl-3-(2-methylpropylamino)-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Traditional Name: (6S)-N-(4-amidinobenzyl)-1-chloro-3-(isobutylamino)-4-keto-8,8-dimethyl-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Formula: C22H29ClN6O2 MolecularWeight: 444.95766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=C2C(CC(N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)N)(C)C)Cl

Isomeric SMILES

CC(C)CNC1=NC(=C2C(C[C@H](N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)N)(C)C)Cl

InChI

InChI=1S/C22H29ClN6O2/c1-12(2)10-26-19-21(31)29-15(9-22(3,4)16(29)17(23)28-19)20(30)27-11-13-5-7-14(8-6-13)18(24)25/h5-8,12,15H,9-11H2,1-4H3,(H3,24,25)(H,26,28)(H,27,30)/t15-/m0/s1