1-butyl-3-(5-pyridin-3-ylpyrimidin-2-yl)urea

Systemtic Name: 1-butyl-3-(5-pyridin-3-ylpyrimidin-2-yl)urea Openeye Name: 1-butyl-3-[5-(3-pyridyl)pyrimidin-2-yl]urea CAS Name: 1-butyl-3-[5-(3-pyridinyl)-2-pyrimidinyl]urea IUPAC Name: 1-butyl-3-(5-pyridin-3-ylpyrimidin-2-yl)urea Traditional Name: 1-butyl-3-[5-(3-pyridyl)pyrimidin-2-yl]urea Formula: C14H17N5O MolecularWeight: 271.31768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=NC=C(C=N1)C2=CN=CC=C2

Isomeric SMILES

CCCCNC(=O)NC1=NC=C(C=N1)C2=CN=CC=C2

InChI

InChI=1S/C14H17N5O/c1-2-3-7-16-14(20)19-13-17-9-12(10-18-13)11-5-4-6-15-8-11/h4-6,8-10H,2-3,7H2,1H3,(H2,16,17,18,19,20)