1-[(2-cyanoquinazolin-4-yl)amino]-3-octyl-urea

Systemtic Name: 1-[(2-cyanoquinazolin-4-yl)amino]-3-octyl-urea Openeye Name: 1-[(2-cyanoquinazolin-4-yl)amino]-3-octyl-urea CAS Name: 1-[(2-cyano-4-quinazolinyl)amino]-3-octylurea IUPAC Name: 1-[(2-cyanoquinazolin-4-yl)amino]-3-octylurea Traditional Name: 1-[(2-cyanoquinazolin-4-yl)amino]-3-octyl-urea Formula: C18H24N6O MolecularWeight: 340.42276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C#N

Isomeric SMILES

CCCCCCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C#N

InChI

InChI=1S/C18H24N6O/c1-2-3-4-5-6-9-12-20-18(25)24-23-17-14-10-7-8-11-15(14)21-16(13-19)22-17/h7-8,10-11H,2-6,9,12H2,1H3,(H2,20,24,25)(H,21,22,23)