N-(3-ethynylphenyl)-6-morpholin-4-yl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-ethynylphenyl)-6-morpholin-4-yl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-ethynylphenyl)-6-morpholino-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-ethynylphenyl)-6-(4-morpholinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-ethynylphenyl)-6-morpholin-4-ylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-ethynylphenyl)-(6-morpholinopyrimido[5,4-d]pyrimidin-4-yl)amine Formula: C18H16N6O MolecularWeight: 332.35924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCOCC4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CN=C(N=C32)N4CCOCC4

InChI

InChI=1S/C18H16N6O/c1-2-13-4-3-5-14(10-13)22-17-16-15(20-12-21-17)11-19-18(23-16)24-6-8-25-9-7-24/h1,3-5,10-12H,6-9H2,(H,20,21,22)