2-[2-(3-azanyl-5-methoxycarbonyl-phenyl)-3-chloranyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(3-azanyl-5-methoxycarbonyl-phenyl)-3-chloranyl-6-oxidanylidene-5-(propan-2-ylamino)pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-amino-5-methoxycarbonyl-phenyl)-3-chloro-5-(isopropylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-amino-5-methoxycarbonylphenyl)-3-chloro-6-oxo-5-(propan-2-ylamino)-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-amino-5-methoxycarbonylphenyl)-3-chloro-6-oxo-5-(propan-2-ylamino)pyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-amino-5-carbomethoxy-phenyl)-3-chloro-5-(isopropylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C17H19ClN4O5 MolecularWeight: 394.80956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O5/c1-8(2)20-15-16(25)22(7-12(23)24)13(14(18)21-15)9-4-10(17(26)27-3)6-11(19)5-9/h4-6,8H,7,19H2,1-3H3,(H,20,21)(H,23,24)