N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-cyclohexyl-benzamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-cyclohexyl-benzamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-cyclohexyl-benzamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-cyclohexylbenzamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]-4-cyclohexylbenzamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-4-cyclohexyl-benzamide Formula: C29H36N6O2 MolecularWeight: 500.63514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CC=C(C=C2)C3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C29H36N6O2/c1-21(36)30-16-17-31-26-20-27(35-28(34-26)24-10-6-3-7-11-24)32-18-19-33-29(37)25-14-12-23(13-15-25)22-8-4-2-5-9-22/h3,6-7,10-15,20,22H,2,4-5,8-9,16-19H2,1H3,(H,30,36)(H,33,37)(H2,31,32,34,35)