N-[2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidin-5-yl]benzamide

Systemtic Name: N-[2-[[4-[3-(dimethylamino)-2-oxidanyl-propoxy]phenyl]amino]-4-phenylazanyl-pyrimidin-5-yl]benzamide Openeye Name: N-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-5-yl]benzamide CAS Name: N-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]-5-pyrimidinyl]benzamide IUPAC Name: N-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidin-5-yl]benzamide Traditional Name: N-[4-anilino-2-[4-[3-(dimethylamino)-2-hydroxy-propoxy]anilino]pyrimidin-5-yl]benzamide Formula: C28H30N6O3 MolecularWeight: 498.5762

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

Isomeric SMILES

CN(C)CC(COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N6O3/c1-34(2)18-23(35)19-37-24-15-13-22(14-16-24)31-28-29-17-25(32-27(36)20-9-5-3-6-10-20)26(33-28)30-21-11-7-4-8-12-21/h3-17,23,35H,18-19H2,1-2H3,(H,32,36)(H2,29,30,31,33)