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

Systemtic Name: (phenylmethyl) 2-[2-(3-aminophenyl)-3-chloranyl-5-(2-dimethylaminoethylamino)-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[2-(3-aminophenyl)-3-chloro-5-(2-dimethylaminoethylamino)-6-keto-pyrazin-1-yl]acetic acid benzyl ester Formula: C23H26ClN5O3 MolecularWeight: 455.93724

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

Isomeric SMILES

CN(C)CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)N)Cl

InChI

InChI=1S/C23H26ClN5O3/c1-28(2)12-11-26-22-23(31)29(14-19(30)32-15-16-7-4-3-5-8-16)20(21(24)27-22)17-9-6-10-18(25)13-17/h3-10,13H,11-12,14-15,25H2,1-2H3,(H,26,27)