N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-phenoxy-propanamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-phenoxy-propanamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-phenoxy-propanamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-2-phenoxypropanamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-2-phenoxypropanamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-2-phenoxy-propionamide Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C)C2=CC=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C)C2=CC=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H30N6O3/c1-18(34-21-11-7-4-8-12-21)25(33)29-16-15-28-23-17-22(27-14-13-26-19(2)32)30-24(31-23)20-9-5-3-6-10-20/h3-12,17-18H,13-16H2,1-2H3,(H,26,32)(H,29,33)(H2,27,28,30,31)