1-phenyl-3-[3-[2-[2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea

Systemtic Name: 1-phenyl-3-[3-[2-[2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Openeye Name: 1-phenyl-3-[3-[2-[2-[3-(1-piperidyl)propylamino]pyrimidin-5-yl]ethynyl]phenyl]urea CAS Name: 1-phenyl-3-[3-[2-[2-[3-(1-piperidinyl)propylamino]-5-pyrimidinyl]ethynyl]phenyl]urea IUPAC Name: 1-phenyl-3-[3-[2-[2-(3-piperidin-1-ylpropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Traditional Name: 1-phenyl-3-[3-[2-[2-(3-piperidinopropylamino)pyrimidin-5-yl]ethynyl]phenyl]urea Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC2=NC=C(C=N2)C#CC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCCNC2=NC=C(C=N2)C#CC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O/c34-27(31-24-10-3-1-4-11-24)32-25-12-7-9-22(19-25)13-14-23-20-29-26(30-21-23)28-15-8-18-33-16-5-2-6-17-33/h1,3-4,7,9-12,19-21H,2,5-6,8,15-18H2,(H,28,29,30)(H2,31,32,34)