[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(pyrimidin-2-ylamino)propanoate

Systemtic Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxidanylidene-ethyl] 3-(pyrimidin-2-ylamino)propanoate Openeye Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxo-ethyl] 3-(pyrimidin-2-ylamino)propanoate CAS Name: 3-(2-pyrimidinylamino)propanoic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 3-(pyrimidin-2-ylamino)propanoate Traditional Name: 3-(2-pyrimidylamino)propionic acid [2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCNC3=NC=CC=N3

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)COC(=O)CCNC3=NC=CC=N3

InChI

InChI=1S/C18H19N5O3S/c1-2-23(18-22-13-6-3-4-7-14(13)27-18)15(24)12-26-16(25)8-11-21-17-19-9-5-10-20-17/h3-7,9-10H,2,8,11-12H2,1H3,(H,19,20,21)