2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N4-methyl-6-morpholin-4-yl-pyrimidine-4,5-diamine

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N4-methyl-6-morpholin-4-yl-pyrimidine-4,5-diamine Openeye Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N4-methyl-6-morpholino-pyrimidine-4,5-diamine CAS Name: 2-[(3,5-dimethoxyphenyl)methylthio]-N4-methyl-6-(4-morpholinyl)pyrimidine-4,5-diamine IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-4-N-methyl-6-morpholin-4-ylpyrimidine-4,5-diamine Traditional Name: [5-amino-2-[(3,5-dimethoxybenzyl)thio]-6-morpholino-pyrimidin-4-yl]-methyl-amine Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=C1N)N2CCOCC2)SCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CNC1=NC(=NC(=C1N)N2CCOCC2)SCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C18H25N5O3S/c1-20-16-15(19)17(23-4-6-26-7-5-23)22-18(21-16)27-11-12-8-13(24-2)10-14(9-12)25-3/h8-10H,4-7,11,19H2,1-3H3,(H,20,21,22)