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

Systemtic Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloranyl-3-(1-methoxypropan-2-ylamino)-8,8-dimethyl-4-oxidanylidene-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Openeye Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-[(2-methoxy-1-methyl-ethyl)amino]-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide CAS Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-(1-methoxypropan-2-ylamino)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide IUPAC Name: (6S)-N-[(4-carbamimidoylphenyl)methyl]-1-chloro-3-(1-methoxypropan-2-ylamino)-8,8-dimethyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Traditional Name: (6S)-N-(4-amidinobenzyl)-1-chloro-4-keto-3-[(2-methoxy-1-methyl-ethyl)amino]-8,8-dimethyl-6,7-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide Formula: C22H29ClN6O3 MolecularWeight: 460.95706

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=NC(=C2C(CC(N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)N)(C)C)Cl

Isomeric SMILES

CC(COC)NC1=NC(=C2C(C[C@H](N2C1=O)C(=O)NCC3=CC=C(C=C3)C(=N)N)(C)C)Cl

InChI

InChI=1S/C22H29ClN6O3/c1-12(11-32-4)27-19-21(31)29-15(9-22(2,3)16(29)17(23)28-19)20(30)26-10-13-5-7-14(8-6-13)18(24)25/h5-8,12,15H,9-11H2,1-4H3,(H3,24,25)(H,26,30)(H,27,28)/t12?,15-/m0/s1