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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-6-oxidanylidene-5-(pentan-3-ylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(1-ethylpropylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(pentan-3-ylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-6-oxo-5-(pentan-3-ylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(1-ethylpropylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C17H21ClN4O3 MolecularWeight: 364.82664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

Isomeric SMILES

CCC(CC)NC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

InChI

InChI=1S/C17H21ClN4O3/c1-3-12(4-2)20-16-17(25)22(9-13(23)24)14(15(18)21-16)10-6-5-7-11(19)8-10/h5-8,12H,3-4,9,19H2,1-2H3,(H,20,21)(H,23,24)