2-[3-[azidomethyl(phenethyl)amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[azidomethyl(phenethyl)amino]-6-chloranyl-2-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[3-[azidomethyl(phenethyl)amino]-6-chloro-2-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[3-[azidomethyl(phenethyl)amino]-6-chloro-2-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[3-[azidomethyl(phenethyl)amino]-6-chloro-2-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[3-[azidomethyl(phenethyl)amino]-6-chloro-2-keto-pyrazin-1-yl]acetic acid Formula: C15H15ClN6O3 MolecularWeight: 362.771

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CN=[N+]=[N-])C2=NC=C(N(C2=O)CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN(CN=[N+]=[N-])C2=NC=C(N(C2=O)CC(=O)O)Cl

InChI

InChI=1S/C15H15ClN6O3/c16-12-8-18-14(15(25)22(12)9-13(23)24)21(10-19-20-17)7-6-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2,(H,23,24)