N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-prop-2-enylpiperazin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-prop-2-enylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-allylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-prop-2-enyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-prop-2-enylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-allylpiperazino)acetamide Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC=C)C3=CC=CC=C3

InChI

InChI=1S/C23H31N7O2/c1-3-11-29-12-14-30(15-13-29)17-22(32)26-21-16-20(25-10-9-24-18(2)31)27-23(28-21)19-7-5-4-6-8-19/h3-8,16H,1,9-15,17H2,2H3,(H,24,31)(H2,25,26,27,28,32)