N5-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-N5-(naphthalen-2-ylmethyl)pyrimidine-4,5-diamine

Systemtic Name: N5-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-N5-(naphthalen-2-ylmethyl)pyrimidine-4,5-diamine Openeye Name: N5-methyl-6-[2-(6-morpholino-3-pyridyl)ethynyl]-N5-(2-naphthylmethyl)pyrimidine-4,5-diamine CAS Name: N5-methyl-6-[2-[6-(4-morpholinyl)-3-pyridinyl]ethynyl]-N5-(2-naphthalenylmethyl)pyrimidine-4,5-diamine IUPAC Name: 5-N-methyl-6-[2-(6-morpholin-4-ylpyridin-3-yl)ethynyl]-5-N-(naphthalen-2-ylmethyl)pyrimidine-4,5-diamine Traditional Name: [4-amino-6-[2-(6-morpholino-3-pyridyl)ethynyl]pyrimidin-5-yl]-methyl-(2-naphthylmethyl)amine Formula: C27H26N6O MolecularWeight: 450.53494

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=CC=CC=C2C=C1)C3=C(N=CN=C3N)C#CC4=CN=C(C=C4)N5CCOCC5

Isomeric SMILES

CN(CC1=CC2=CC=CC=C2C=C1)C3=C(N=CN=C3N)C#CC4=CN=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H26N6O/c1-32(18-21-6-9-22-4-2-3-5-23(22)16-21)26-24(30-19-31-27(26)28)10-7-20-8-11-25(29-17-20)33-12-14-34-15-13-33/h2-6,8-9,11,16-17,19H,12-15,18H2,1H3,(H2,28,30,31)