5-[[5-(3-methoxy-3-methyl-but-1-ynyl)-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile

Systemtic Name: 5-[[5-(3-methoxy-3-methyl-but-1-ynyl)-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile Openeye Name: 5-[[5-(3-methoxy-3-methyl-but-1-ynyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridyl]amino]pyrazine-2-carbonitrile CAS Name: 5-[[5-(3-methoxy-3-methylbut-1-ynyl)-4-[[(2S)-2-morpholinyl]methylamino]-2-pyridinyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 5-[[5-(3-methoxy-3-methylbut-1-ynyl)-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile Traditional Name: 5-[[5-(3-methoxy-3-methyl-but-1-ynyl)-4-[[(2S)-morpholin-2-yl]methylamino]-2-pyridyl]amino]pyrazinonitrile Formula: C21H25N7O2 MolecularWeight: 407.4689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CN=C(C=C1NCC2CNCCO2)NC3=NC=C(N=C3)C#N)OC

Isomeric SMILES

CC(C)(C#CC1=CN=C(C=C1NC[C@@H]2CNCCO2)NC3=NC=C(N=C3)C#N)OC

InChI

InChI=1S/C21H25N7O2/c1-21(2,29-3)5-4-15-10-26-19(28-20-14-24-16(9-22)11-27-20)8-18(15)25-13-17-12-23-6-7-30-17/h8,10-11,14,17,23H,6-7,12-13H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1