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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(3-oxidanylpropylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(3-hydroxypropylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C15H17ClN4O4 MolecularWeight: 352.77288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C2=C(N=C(C(=O)N2CC(=O)O)NCCCO)Cl

Isomeric SMILES

C1=CC(=CC(=C1)N)C2=C(N=C(C(=O)N2CC(=O)O)NCCCO)Cl

InChI

InChI=1S/C15H17ClN4O4/c16-13-12(9-3-1-4-10(17)7-9)20(8-11(22)23)15(24)14(19-13)18-5-2-6-21/h1,3-4,7,21H,2,5-6,8,17H2,(H,18,19)(H,22,23)