1-(1,3-benzothiazol-2-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Openeye Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine CAS Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-[2-(5-pyrimidinyl)ethynyl]phenyl]methyl]-3-piperidinamine IUPAC Name: 1-(1,3-benzothiazol-2-yl)-N-[[4-(2-pyrimidin-5-ylethynyl)phenyl]methyl]piperidin-3-amine Traditional Name: [1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[4-[2-(5-pyrimidyl)ethynyl]benzyl]amine Formula: C25H23N5S MolecularWeight: 425.54862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)NCC4=CC=C(C=C4)C#CC5=CN=CN=C5

Isomeric SMILES

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)NCC4=CC=C(C=C4)C#CC5=CN=CN=C5

InChI

InChI=1S/C25H23N5S/c1-2-6-24-23(5-1)29-25(31-24)30-13-3-4-22(17-30)28-16-20-10-7-19(8-11-20)9-12-21-14-26-18-27-15-21/h1-2,5-8,10-11,14-15,18,22,28H,3-4,13,16-17H2