1-[(2-cyano-6-methyl-quinazolin-4-yl)amino]-3-(2-octyldodecyl)urea

Systemtic Name: 1-[(2-cyano-6-methyl-quinazolin-4-yl)amino]-3-(2-octyldodecyl)urea Openeye Name: 1-[(2-cyano-6-methyl-quinazolin-4-yl)amino]-3-(2-octyldodecyl)urea CAS Name: 1-[(2-cyano-6-methyl-4-quinazolinyl)amino]-3-(2-octyldodecyl)urea IUPAC Name: 1-[(2-cyano-6-methylquinazolin-4-yl)amino]-3-(2-octyldodecyl)urea Traditional Name: 1-[(2-cyano-6-methyl-quinazolin-4-yl)amino]-3-(2-octyldodecyl)urea Formula: C31H50N6O MolecularWeight: 522.7683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NC2=C1C=C(C=C2)C)C#N

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NC2=C1C=C(C=C2)C)C#N

InChI

InChI=1S/C31H50N6O/c1-4-6-8-10-12-13-15-17-19-26(18-16-14-11-9-7-5-2)24-33-31(38)37-36-30-27-22-25(3)20-21-28(27)34-29(23-32)35-30/h20-22,26H,4-19,24H2,1-3H3,(H2,33,37,38)(H,34,35,36)