tert-butyl 4-[2-[3-[[5-(3-cyanophenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[3-[[5-(3-cyanophenyl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-[[5-(3-cyanophenyl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-[3-[[5-(3-cyanophenyl)-3-triazolo[4,5-d]pyrimidinyl]methyl]phenyl]-5-pyrimidinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-[[5-(3-cyanophenyl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylate Traditional Name: 4-[2-[3-[[5-(3-cyanophenyl)triazolo[4,5-d]pyrimidin-3-yl]methyl]phenyl]pyrimidin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C31H30N10O2 MolecularWeight: 574.6357

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(N=C2)C3=CC(=CC=C3)CN4C5=NC(=NC=C5N=N4)C6=CC=CC(=C6)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(N=C2)C3=CC(=CC=C3)CN4C5=NC(=NC=C5N=N4)C6=CC=CC(=C6)C#N

InChI

InChI=1S/C31H30N10O2/c1-31(2,3)43-30(42)40-12-10-39(11-13-40)25-17-33-27(34-18-25)23-8-5-7-22(15-23)20-41-29-26(37-38-41)19-35-28(36-29)24-9-4-6-21(14-24)16-32/h4-9,14-15,17-19H,10-13,20H2,1-3H3