1-[5-ethynyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea

Systemtic Name: 1-[5-ethynyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea Openeye Name: 1-[5-ethynyl-2-[(1-methyl-3-piperidyl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea CAS Name: 1-[5-ethynyl-2-[(1-methyl-3-piperidinyl)methoxy]phenyl]-3-(5-methyl-2-pyrazinyl)urea IUPAC Name: 1-[5-ethynyl-2-[(1-methylpiperidin-3-yl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea Traditional Name: 1-[5-ethynyl-2-[(1-methyl-3-piperidyl)methoxy]phenyl]-3-(5-methylpyrazin-2-yl)urea Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)C#C)OCC3CCCN(C3)C

Isomeric SMILES

CC1=CN=C(C=N1)NC(=O)NC2=C(C=CC(=C2)C#C)OCC3CCCN(C3)C

InChI

InChI=1S/C21H25N5O2/c1-4-16-7-8-19(28-14-17-6-5-9-26(3)13-17)18(10-16)24-21(27)25-20-12-22-15(2)11-23-20/h1,7-8,10-12,17H,5-6,9,13-14H2,2-3H3,(H2,23,24,25,27)