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

Systemtic Name: 2-[2-(3-aminophenyl)-3-chloranyl-5-(2-dimethylaminoethylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoic acid Openeye Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxo-pyrazin-1-yl]acetic acid CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxo-1-pyrazinyl]acetic acid IUPAC Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxopyrazin-1-yl]acetic acid Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-keto-pyrazin-1-yl]acetic acid Formula: C16H20ClN5O3 MolecularWeight: 365.8147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN5O3/c1-21(2)7-6-19-15-16(25)22(9-12(23)24)13(14(17)20-15)10-4-3-5-11(18)8-10/h3-5,8H,6-7,9,18H2,1-2H3,(H,19,20)(H,23,24)