1-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-(3-pyridylmethyl)urea CAS Name: 1-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[6-(3-ketopiperazino)-3-pyridyl]-3-(3-pyridylmethyl)urea Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)NCC3=CN=CC=C3

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H18N6O2/c23-15-11-22(7-6-18-15)14-4-3-13(10-19-14)21-16(24)20-9-12-2-1-5-17-8-12/h1-5,8,10H,6-7,9,11H2,(H,18,23)(H2,20,21,24)