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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-5-(ethylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(ethylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C14H15ClN4O3 MolecularWeight: 322.7469

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

Isomeric SMILES

CCNC1=NC(=C(N(C1=O)CC(=O)O)C2=CC(=CC=C2)N)Cl

InChI

InChI=1S/C14H15ClN4O3/c1-2-17-13-14(22)19(7-10(20)21)11(12(15)18-13)8-4-3-5-9(16)6-8/h3-6H,2,7,16H2,1H3,(H,17,18)(H,20,21)