N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-[(4-tert-butylphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-(4-tert-butylbenzyl)piperazino]acetamide Formula: C31H41N7O2 MolecularWeight: 543.70294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C31H41N7O2/c1-23(39)32-14-15-33-27-20-28(36-30(35-27)25-8-6-5-7-9-25)34-29(40)22-38-18-16-37(17-19-38)21-24-10-12-26(13-11-24)31(2,3)4/h5-13,20H,14-19,21-22H2,1-4H3,(H,32,39)(H2,33,34,35,36,40)