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

Systemtic Name: N-[4-[(2-pyridin-2-ylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-ynamide Openeye Name: N-[4-[[2-(2-pyridyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-ynamide CAS Name: N-[4-[[2-(2-pyridinyl)-5-benzotriazolyl]amino]-6-pyrido[3,4-d]pyrimidinyl]-2-propynamide IUPAC Name: N-[4-[(2-pyridin-2-ylbenzotriazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]prop-2-ynamide Traditional Name: N-[4-[[2-(2-pyridyl)benzotriazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]propiolamide Formula: C21H13N9O MolecularWeight: 407.38762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N9O/c1-2-20(31)27-18-10-14-17(11-23-18)24-12-25-21(14)26-13-6-7-15-16(9-13)29-30(28-15)19-5-3-4-8-22-19/h1,3-12H,(H,23,27,31)(H,24,25,26)