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

Systemtic Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(quinolin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide Openeye Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(2-quinolylamino)ethylamino]pyrimidin-4-yl]benzamide CAS Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(2-quinolinylamino)ethylamino]-4-pyrimidinyl]benzamide IUPAC Name: N-[(3-bromophenyl)methyl]-4-[2-[2-(quinolin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide Traditional Name: N-(3-bromobenzyl)-4-[2-[2-(2-quinolylamino)ethylamino]pyrimidin-4-yl]benzamide Formula: C29H25BrN6O MolecularWeight: 553.4524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)NCCNC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)NCCNC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)Br

InChI

InChI=1S/C29H25BrN6O/c30-24-6-3-4-20(18-24)19-34-28(37)23-10-8-22(9-11-23)26-14-15-32-29(36-26)33-17-16-31-27-13-12-21-5-1-2-7-25(21)35-27/h1-15,18H,16-17,19H2,(H,31,35)(H,34,37)(H,32,33,36)