1-[(3-cyanophenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea

Systemtic Name: 1-[(3-cyanophenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea Openeye Name: 1-[(3-cyanophenyl)methyl]-3-(1-pyrimidin-2-yl-4-piperidyl)urea CAS Name: 1-[(3-cyanophenyl)methyl]-3-[1-(2-pyrimidinyl)-4-piperidinyl]urea IUPAC Name: 1-[(3-cyanophenyl)methyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea Traditional Name: 1-(3-cyanobenzyl)-3-[1-(2-pyrimidyl)-4-piperidyl]urea Formula: C18H20N6O MolecularWeight: 336.391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)NCC2=CC=CC(=C2)C#N)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCC1NC(=O)NCC2=CC=CC(=C2)C#N)C3=NC=CC=N3

InChI

InChI=1S/C18H20N6O/c19-12-14-3-1-4-15(11-14)13-22-18(25)23-16-5-9-24(10-6-16)17-20-7-2-8-21-17/h1-4,7-8,11,16H,5-6,9-10,13H2,(H2,22,23,25)