N-[(3-bromophenyl)methyl]-4-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide

Systemtic Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide Openeye Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide CAS Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(3-methoxyphenyl)ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide Traditional Name: N-(3-bromobenzyl)-4-[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzamide Formula: C27H25BrN4O2 MolecularWeight: 517.417

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC(=C1)CCNC2=NC=CC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CC(=CC=C4)Br

InChI

InChI=1S/C27H25BrN4O2/c1-34-24-7-3-4-19(17-24)12-14-29-27-30-15-13-25(32-27)21-8-10-22(11-9-21)26(33)31-18-20-5-2-6-23(28)16-20/h2-11,13,15-17H,12,14,18H2,1H3,(H,31,33)(H,29,30,32)