N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoyl]piperidin-4-yl]benzamide

Systemtic Name: N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxidanylidene-ethanoyl]piperidin-4-yl]benzamide Openeye Name: N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-oxo-acetyl]-4-piperidyl]benzamide CAS Name: N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]-1,2-dioxoethyl]-4-piperidinyl]benzamide IUPAC Name: N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]-2-oxoacetyl]piperidin-4-yl]benzamide Traditional Name: N-[1-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]-2-keto-acetyl]-4-piperidyl]benzamide Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)C(=O)N2CCC(CC2)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N7O4/c1-19(36)29-14-15-30-23-18-24(33-25(32-23)20-8-4-2-5-9-20)34-27(38)28(39)35-16-12-22(13-17-35)31-26(37)21-10-6-3-7-11-21/h2-11,18,22H,12-17H2,1H3,(H,29,36)(H,31,37)(H2,30,32,33,34,38)