(phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(3-oxidanylpropylamino)pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(3-oxidanylpropylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C22H23ClN4O4 MolecularWeight: 442.89542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCO)Cl)C3=CC(=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCCO)Cl)C3=CC(=CC=C3)N

InChI

InChI=1S/C22H23ClN4O4/c23-20-19(16-8-4-9-17(24)12-16)27(22(30)21(26-20)25-10-5-11-28)13-18(29)31-14-15-6-2-1-3-7-15/h1-4,6-9,12,28H,5,10-11,13-14,24H2,(H,25,26)