3-[[2-[[4-(2-diethylaminoethyloxy)phenyl]amino]-5-pyrimidin-5-yl-4H-pyrimidin-3-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[2-[[4-(2-diethylaminoethyloxy)phenyl]amino]-5-pyrimidin-5-yl-4H-pyrimidin-3-yl]amino]benzenecarbonitrile Openeye Name: 3-[[2-[4-(2-diethylaminoethyloxy)anilino]-5-pyrimidin-5-yl-4H-pyrimidin-3-yl]amino]benzonitrile CAS Name: 3-[[2-[4-(2-diethylaminoethyloxy)anilino]-5-(5-pyrimidinyl)-4H-pyrimidin-3-yl]amino]benzonitrile IUPAC Name: 3-[[2-[4-(2-diethylaminoethyloxy)anilino]-5-pyrimidin-5-yl-4H-pyrimidin-3-yl]amino]benzonitrile Traditional Name: 3-[[2-[4-(2-diethylaminoethyloxy)anilino]-5-(5-pyrimidyl)-4H-pyrimidin-3-yl]amino]benzonitrile Formula: C27H30N8O MolecularWeight: 482.5801

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(CN2NC3=CC=CC(=C3)C#N)C4=CN=CN=C4

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C(CN2NC3=CC=CC(=C3)C#N)C4=CN=CN=C4

InChI

InChI=1S/C27H30N8O/c1-3-34(4-2)12-13-36-26-10-8-24(9-11-26)32-27-31-18-23(22-16-29-20-30-17-22)19-35(27)33-25-7-5-6-21(14-25)15-28/h5-11,14,16-18,20,33H,3-4,12-13,19H2,1-2H3,(H,31,32)