6-[(4-ethoxyphenyl)methylsulfanyl]-N-(1-morpholin-4-ylethyl)-2-phenyl-pyrimidin-4-amine

Systemtic Name: 6-[(4-ethoxyphenyl)methylsulfanyl]-N-(1-morpholin-4-ylethyl)-2-phenyl-pyrimidin-4-amine Openeye Name: 6-[(4-ethoxyphenyl)methylsulfanyl]-N-(1-morpholinoethyl)-2-phenyl-pyrimidin-4-amine CAS Name: 6-[(4-ethoxyphenyl)methylthio]-N-[1-(4-morpholinyl)ethyl]-2-phenyl-4-pyrimidinamine IUPAC Name: 6-[(4-ethoxyphenyl)methylsulfanyl]-N-(1-morpholin-4-ylethyl)-2-phenylpyrimidin-4-amine Traditional Name: [6-[(4-ethoxybenzyl)thio]-2-phenyl-pyrimidin-4-yl]-(1-morpholinoethyl)amine Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=NC(=NC(=C2)NC(C)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=NC(=NC(=C2)NC(C)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-3-31-22-11-9-20(10-12-22)18-32-24-17-23(26-19(2)29-13-15-30-16-14-29)27-25(28-24)21-7-5-4-6-8-21/h4-12,17,19H,3,13-16,18H2,1-2H3,(H,26,27,28)