[2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]amino]-2-oxidanylidene-1-phenyl-ethyl] ethanoate Openeye Name: [2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]amino]-2-oxo-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-[[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]amino]-2-oxo-1-phenylethyl] acetate Traditional Name: acetic acid [2-[[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]amino]-2-keto-1-phenyl-ethyl] ester Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=O)C(C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C20H23N5O3/c1-3-11-25(12-7-10-21)19-17(13-22-14-23-19)24-20(27)18(28-15(2)26)16-8-5-4-6-9-16/h4-6,8-9,13-14,18H,3,7,11-12H2,1-2H3,(H,24,27)