N-[4-[(2-pyridin-2-ylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide

Systemtic Name: N-[4-[(2-pyridin-2-ylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Openeye Name: N-[4-[[2-(2-pyridyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide CAS Name: N-[4-[[2-(2-pyridinyl)-5-benzotriazolyl]amino]-6-pyrido[3,4-d]pyrimidinyl]-2-butynamide IUPAC Name: N-[4-[(2-pyridin-2-ylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Traditional Name: N-[4-[[2-(2-pyridyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-ynamide Formula: C22H15N9O MolecularWeight: 421.4142

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=N5

Isomeric SMILES

CC#CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=NN(N=C4C=C3)C5=CC=CC=N5

InChI

InChI=1S/C22H15N9O/c1-2-5-21(32)28-19-11-15-18(12-24-19)25-13-26-22(15)27-14-7-8-16-17(10-14)30-31(29-16)20-6-3-4-9-23-20/h3-4,6-13H,1H3,(H,24,28,32)(H,25,26,27)