N-[2-[4-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-chloranyl-benzamide

Systemtic Name: N-[2-[4-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-oxidanylidene-ethyl]-4-chloranyl-benzamide Openeye Name: N-[2-[4-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-2-oxo-ethyl]-4-chloro-benzamide CAS Name: N-[2-[4-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-2-oxoethyl]-4-chlorobenzamide IUPAC Name: N-[2-[4-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-4-chlorobenzamide Traditional Name: N-[2-[4-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]piperazino]-2-keto-ethyl]-4-chloro-benzamide Formula: C27H30ClN7O3 MolecularWeight: 536.0252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)CNC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H30ClN7O3/c1-19(36)29-11-12-30-23-17-24(33-26(32-23)20-5-3-2-4-6-20)34-13-15-35(16-14-34)25(37)18-31-27(38)21-7-9-22(28)10-8-21/h2-10,17H,11-16,18H2,1H3,(H,29,36)(H,31,38)(H,30,32,33)