N-[(E)-[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]-2,6-dimorpholin-4-yl-pyrimidin-4-amine

Systemtic Name: N-[(E)-[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]-2,6-dimorpholin-4-yl-pyrimidin-4-amine Openeye Name: N-[(E)-[3-ethoxy-4-[2-(1-naphthylsulfanyl)ethoxy]phenyl]methyleneamino]-2,6-dimorpholino-pyrimidin-4-amine CAS Name: N-[(E)-[3-ethoxy-4-[2-(1-naphthalenylthio)ethoxy]phenyl]methylideneamino]-2,6-bis(4-morpholinyl)-4-pyrimidinamine IUPAC Name: N-[(E)-[3-ethoxy-4-(2-naphthalen-1-ylsulfanylethoxy)phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine Traditional Name: (2,6-dimorpholinopyrimidin-4-yl)-[(E)-[3-ethoxy-4-[2-(1-naphthylthio)ethoxy]benzylidene]amino]amine Formula: C33H38N6O4S MolecularWeight: 614.75762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4)OCCSC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC2=NC(=NC(=C2)N3CCOCC3)N4CCOCC4)OCCSC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H38N6O4S/c1-2-42-29-22-25(10-11-28(29)43-20-21-44-30-9-5-7-26-6-3-4-8-27(26)30)24-34-37-31-23-32(38-12-16-40-17-13-38)36-33(35-31)39-14-18-41-19-15-39/h3-11,22-24H,2,12-21H2,1H3,(H,35,36,37)/b34-24+